1-[5-(11-methyl-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone

C22H35N3O — CID 162855338

IUPAC1-[5-(11-methyl-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone
SMILESC=CCC1C2CC(CN1C)C1CCCCN1C2C1=CN(C(C)=O)CCC1
InChIInChI=1S/C22H35N3O/c1-4-8-21-19-13-18(14-23(21)3)20-10-5-6-12-25(20)22(19)17-9-7-11-24(15-17)16(2)26/h4,15,18-22H,1,5-14H2,2-3H3
InChIKeyNGYQGPQSBNFVQF-UHFFFAOYSA-N
MW357.54 g/mol
LogP3.26
Rot. Bonds3

About 1-[5-(11-methyl-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone

1-[5-(11-methyl-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 162855338) has the molecular formula C22H35N3O and a molecular weight of 357.54 g/mol. Its IUPAC name is 1-[5-(11-methyl-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-(11-methyl-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID162855338
Molecular FormulaC22H35N3O
Molecular Weight357.54 g/mol
Exact Mass357.28
IUPAC Name1-[5-(11-methyl-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone
SMILESC=CCC1C2CC(CN1C)C1CCCCN1C2C1=CN(C(C)=O)CCC1
InChIInChI=1S/C22H35N3O/c1-4-8-21-19-13-18(14-23(21)3)20-10-5-6-12-25(20)22(19)17-9-7-11-24(15-17)16(2)26/h4,15,18-22H,1,5-14H2,2-3H3
InChIKeyNGYQGPQSBNFVQF-UHFFFAOYSA-N
XLogP3.26
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[5-(11-methyl-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone with MolForge

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Related Compounds

1-[5-[(2R,6R,8R,9R,11S,13S)-13-prop-2-enyl-1,7-diazatetracyclo[7.3.1.02,7.06,11]tridecan-8-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone
CID 162820520
1-[5-(1-methylpiperidin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone
CID 11218329
1-[5-(2,3,4,5-tetrahydropyridin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone
CID 91747724
1-[(2S)-2-prop-2-enylpiperidin-1-yl]ethanone
CID 93476405
1-(2-prop-2-enylpiperidin-1-yl)ethanone
CID 11116438
[(1R,2R,8R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-yl]methanol
CID 162940072
1-[(1S,2S,9R,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-en-3-yl]ethanone;hydrochloride
CID 52993822
(1R,2R,9S,10S)-16-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 56927844
1-[2-[2-(chloromethyl)cyclopropyl]piperidin-1-yl]ethanone
CID 130138213
(3R)-1-methyl-3-prop-2-enylpyrrolidin-2-one
CID 129366009
1-methyl-2-(4-prop-2-enylcyclohexyl)pyrrolidine
CID 143494169
(1R,2R,9S,10S,16R)-16-propan-2-yl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 14396427

Frequently Asked Questions

What is the IUPAC name of 1-[5-(11-methyl-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 1-[5-(11-methyl-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone (CID 162855338) is 1-[5-(11-methyl-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[5-(11-methyl-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 1-[5-(11-methyl-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone is C=CCC1C2CC(CN1C)C1CCCCN1C2C1=CN(C(C)=O)CCC1.
What is the InChIKey of 1-[5-(11-methyl-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is NGYQGPQSBNFVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O/c1-4-8-21-19-13-18(14-23(21)3)20-10-5-6-12-25(20)22(19)17-9-7-11-24(15-17)16(2)26/h4,15,18-22H,1,5-14H2,2-3H3.
What are the key properties of 1-[5-(11-methyl-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone?
1-[5-(11-methyl-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 357.54 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(11-methyl-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 162855338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).