(1Z)-1-(1-azabicyclo[2.2.1]heptan-3-ylidene)butan-2-one

C10H15NO — CID 10749562

IUPAC(1Z)-1-(1-azabicyclo[2.2.1]heptan-3-ylidene)butan-2-one
SMILESCCC(=O)/C=C1\CN2CCC1C2
InChIInChI=1S/C10H15NO/c1-2-10(12)5-9-7-11-4-3-8(9)6-11/h5,8H,2-4,6-7H2,1H3/b9-5+
InChIKeyGNDMZEGLTCSYEF-WEVVVXLNSA-N
MW165.24 g/mol
LogP1.23
Rot. Bonds2

About (1Z)-1-(1-azabicyclo[2.2.1]heptan-3-ylidene)butan-2-one

(1Z)-1-(1-azabicyclo[2.2.1]heptan-3-ylidene)butan-2-one (PubChem CID 10749562) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (1Z)-1-(1-azabicyclo[2.2.1]heptan-3-ylidene)butan-2-one.

Molecular Properties

Compound Name(1Z)-1-(1-azabicyclo[2.2.1]heptan-3-ylidene)butan-2-one
PubChem CID10749562
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(1Z)-1-(1-azabicyclo[2.2.1]heptan-3-ylidene)butan-2-one
SMILESCCC(=O)/C=C1\CN2CCC1C2
InChIInChI=1S/C10H15NO/c1-2-10(12)5-9-7-11-4-3-8(9)6-11/h5,8H,2-4,6-7H2,1H3/b9-5+
InChIKeyGNDMZEGLTCSYEF-WEVVVXLNSA-N
XLogP1.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(1E)-1-(1-azabicyclo[2.2.2]octan-3-ylidene)butan-2-one
CID 10607439
(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)-N-(2-hydroxy-2,3-dimethylpentyl)acetamide
CID 110015995
(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)-N-(3-hydroxy-1-phenylpropyl)-N-methylacetamide
CID 110016416
2-(1-azabicyclo[2.2.2]octan-3-ylidene)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]acetamide
CID 91944043
ethyl 2-(1-azabicyclo[3.2.1]octan-4-ylidene)propanoate
CID 105365529
ethyl 2-(1-azabicyclo[2.2.2]octan-3-ylidene)propanoate
CID 104503385
1-[1-(trimethylsilylmethyl)pyrrolidin-2-ylidene]butan-2-one
CID 67043398
(E)-5-piperidin-1-ylhex-4-en-3-one
CID 13378810
(Z)-N-propan-2-yloxy-1-azabicyclo[2.2.1]heptan-3-imine
CID 11819427
N,N-dimethyl-2-(5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)acetamide
CID 58449992
1-(1-ethylpyrrolidin-3-yl)propan-2-one
CID 91527917
N-[(1-ethylsulfonylpiperidin-3-yl)methyl]propanamide
CID 50847725

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(1-azabicyclo[2.2.1]heptan-3-ylidene)butan-2-one?
The IUPAC name of (1Z)-1-(1-azabicyclo[2.2.1]heptan-3-ylidene)butan-2-one (CID 10749562) is (1Z)-1-(1-azabicyclo[2.2.1]heptan-3-ylidene)butan-2-one.
What is the SMILES notation for (1Z)-1-(1-azabicyclo[2.2.1]heptan-3-ylidene)butan-2-one?
The canonical SMILES for (1Z)-1-(1-azabicyclo[2.2.1]heptan-3-ylidene)butan-2-one is CCC(=O)/C=C1\CN2CCC1C2.
What is the InChIKey of (1Z)-1-(1-azabicyclo[2.2.1]heptan-3-ylidene)butan-2-one?
The InChIKey is GNDMZEGLTCSYEF-WEVVVXLNSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-10(12)5-9-7-11-4-3-8(9)6-11/h5,8H,2-4,6-7H2,1H3/b9-5+.
What are the key properties of (1Z)-1-(1-azabicyclo[2.2.1]heptan-3-ylidene)butan-2-one?
(1Z)-1-(1-azabicyclo[2.2.1]heptan-3-ylidene)butan-2-one has a molecular weight of 165.24 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(1-azabicyclo[2.2.1]heptan-3-ylidene)butan-2-one is sourced from PubChem (CID 10749562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).