1-[2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propyl]pyrrolidin-2-one

C18H26N2O — CID 60936516

IUPAC1-[2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)NC1CCCCc2ccccc21
InChIInChI=1S/C18H26N2O/c1-14(13-20-12-6-11-18(20)21)19-17-10-5-3-8-15-7-2-4-9-16(15)17/h2,4,7,9,14,17,19H,3,5-6,8,10-13H2,1H3
InChIKeyCBCRQDHBJJDPMF-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.05
Rot. Bonds4

About 1-[2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propyl]pyrrolidin-2-one

1-[2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propyl]pyrrolidin-2-one (PubChem CID 60936516) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-[2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propyl]pyrrolidin-2-one
PubChem CID60936516
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-[2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)NC1CCCCc2ccccc21
InChIInChI=1S/C18H26N2O/c1-14(13-20-12-6-11-18(20)21)19-17-10-5-3-8-15-7-2-4-9-16(15)17/h2,4,7,9,14,17,19H,3,5-6,8,10-13H2,1H3
InChIKeyCBCRQDHBJJDPMF-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[(2S)-2-[[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]amino]propyl]pyrrolidin-2-one
CID 124626760
1-[(2R)-2-[[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]amino]propyl]pyrrolidin-2-one
CID 124626761
N-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43131355
1-[2-[(2-propan-2-ylcyclohexyl)amino]propyl]pyrrolidin-2-one
CID 81329280
N-(1-cyclopropylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63988882
(1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 158216876
3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanoic acid
CID 43652089
N-methyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide
CID 54950260
1-N,1-N-dimethyl-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propane-1,2-diamine
CID 82946230
N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43191940
N,N-dimethyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide
CID 43573994
2-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propan-1-ol
CID 153344227

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propyl]pyrrolidin-2-one (CID 60936516) is 1-[2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propyl]pyrrolidin-2-one is CC(CN1CCCC1=O)NC1CCCCc2ccccc21.
What is the InChIKey of 1-[2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propyl]pyrrolidin-2-one?
The InChIKey is CBCRQDHBJJDPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-14(13-20-12-6-11-18(20)21)19-17-10-5-3-8-15-7-2-4-9-16(15)17/h2,4,7,9,14,17,19H,3,5-6,8,10-13H2,1H3.
What are the key properties of 1-[2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propyl]pyrrolidin-2-one?
1-[2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propyl]pyrrolidin-2-one has a molecular weight of 286.42 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propyl]pyrrolidin-2-one is sourced from PubChem (CID 60936516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).