1-[6-[(Z)-3-phenylpent-2-enyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]propan-1-one

C19H26N2O — CID 69451510

IUPAC1-[6-[(Z)-3-phenylpent-2-enyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]propan-1-one
SMILESCCC(=O)N1CC2CC(C1)N2C/C=C(/CC)c1ccccc1
InChIInChI=1S/C19H26N2O/c1-3-15(16-8-6-5-7-9-16)10-11-21-17-12-18(21)14-20(13-17)19(22)4-2/h5-10,17-18H,3-4,11-14H2,1-2H3/b15-10-
InChIKeyKBTXEPZHCCWIBN-GDNBJRDFSA-N
MW298.43 g/mol
LogP3.18
Rot. Bonds5

About 1-[6-[(Z)-3-phenylpent-2-enyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]propan-1-one

1-[6-[(Z)-3-phenylpent-2-enyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]propan-1-one (PubChem CID 69451510) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-[6-[(Z)-3-phenylpent-2-enyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[6-[(Z)-3-phenylpent-2-enyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]propan-1-one
PubChem CID69451510
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name1-[6-[(Z)-3-phenylpent-2-enyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]propan-1-one
SMILESCCC(=O)N1CC2CC(C1)N2C/C=C(/CC)c1ccccc1
InChIInChI=1S/C19H26N2O/c1-3-15(16-8-6-5-7-9-16)10-11-21-17-12-18(21)14-20(13-17)19(22)4-2/h5-10,17-18H,3-4,11-14H2,1-2H3/b15-10-
InChIKeyKBTXEPZHCCWIBN-GDNBJRDFSA-N
XLogP3.18
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[6-[(Z)-3-phenylpent-2-enyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]propan-1-one with MolForge

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Related Compounds

1-phenyl-3-(3-propanoyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)propan-1-one
CID 11687841
1-[6-(3-phenylpropyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]propan-1-one
CID 11666232
1-[6-[(E)-3-(4-chlorophenyl)prop-2-enyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]propan-1-one
CID 11536806
1-[6-[3-(4-chlorophenyl)prop-2-enyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]propan-1-one
CID 72999006
1-(4-benzyl-3,5-dimethylpiperazin-1-yl)propan-1-one
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CID 16725440
1-[6-[3-(4-chlorophenyl)but-2-en-2-yl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]propan-1-one
CID 69484117
(E)-3-phenyl-1-pyrrolidin-1-ylpent-2-en-1-one
CID 110297176
(Z)-3-phenylpent-2-en-1-amine
CID 63968007
2-(1-propanoylpyrrolidin-3-yl)isoindole-1,3-dione
CID 113082746
1-[8-(1H-indol-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one
CID 85273470
1-(3,4-dimethylpyrrolidin-1-yl)-3-phenylpropane-1,3-dione
CID 538629

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(Z)-3-phenylpent-2-enyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]propan-1-one?
The IUPAC name of 1-[6-[(Z)-3-phenylpent-2-enyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]propan-1-one (CID 69451510) is 1-[6-[(Z)-3-phenylpent-2-enyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]propan-1-one.
What is the SMILES notation for 1-[6-[(Z)-3-phenylpent-2-enyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]propan-1-one?
The canonical SMILES for 1-[6-[(Z)-3-phenylpent-2-enyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]propan-1-one is CCC(=O)N1CC2CC(C1)N2C/C=C(/CC)c1ccccc1.
What is the InChIKey of 1-[6-[(Z)-3-phenylpent-2-enyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]propan-1-one?
The InChIKey is KBTXEPZHCCWIBN-GDNBJRDFSA-N. The full InChI is InChI=1S/C19H26N2O/c1-3-15(16-8-6-5-7-9-16)10-11-21-17-12-18(21)14-20(13-17)19(22)4-2/h5-10,17-18H,3-4,11-14H2,1-2H3/b15-10-.
What are the key properties of 1-[6-[(Z)-3-phenylpent-2-enyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]propan-1-one?
1-[6-[(Z)-3-phenylpent-2-enyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]propan-1-one has a molecular weight of 298.43 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(Z)-3-phenylpent-2-enyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]propan-1-one is sourced from PubChem (CID 69451510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).