2-azabicyclo[2.2.1]heptan-2-yl-(1-methylcyclopropyl)methanone

C11H17NO — CID 130635119

IUPAC2-azabicyclo[2.2.1]heptan-2-yl-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)N2CC3CCC2C3)CC1
InChIInChI=1S/C11H17NO/c1-11(4-5-11)10(13)12-7-8-2-3-9(12)6-8/h8-9H,2-7H2,1H3
InChIKeyMSNKPEVTNXPVFI-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.80
Rot. Bonds1

About 2-azabicyclo[2.2.1]heptan-2-yl-(1-methylcyclopropyl)methanone

2-azabicyclo[2.2.1]heptan-2-yl-(1-methylcyclopropyl)methanone (PubChem CID 130635119) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]heptan-2-yl-(1-methylcyclopropyl)methanone.

Molecular Properties

Compound Name2-azabicyclo[2.2.1]heptan-2-yl-(1-methylcyclopropyl)methanone
PubChem CID130635119
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-azabicyclo[2.2.1]heptan-2-yl-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)N2CC3CCC2C3)CC1
InChIInChI=1S/C11H17NO/c1-11(4-5-11)10(13)12-7-8-2-3-9(12)6-8/h8-9H,2-7H2,1H3
InChIKeyMSNKPEVTNXPVFI-UHFFFAOYSA-N
XLogP1.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-azabicyclo[2.2.1]heptan-2-yl-(3-ethylpyrrolidin-3-yl)methanone
CID 63142542
(1-amino-3-methylcyclohexyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone
CID 64555279
1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-bromopropan-1-one
CID 107905003
N-methoxy-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 130614903
1-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one
CID 177023986
N-methyl-2-azabicyclo[2.2.1]heptane-2-carbothioamide
CID 115588092
2-azabicyclo[2.2.1]heptan-2-yl(cyclobutyl)methanone
CID 130708819
1-(2-azabicyclo[2.2.1]heptan-2-yl)-2,2-difluoroethanone
CID 103515712
propan-2-yl 2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 116654809
(4-amino-2,2,3-trimethylcyclohexyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone
CID 102628701
(2R)-2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methylbutan-1-one
CID 79012311
1-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2-piperidin-4-ylethanone
CID 129375093

Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.1]heptan-2-yl-(1-methylcyclopropyl)methanone?
The IUPAC name of 2-azabicyclo[2.2.1]heptan-2-yl-(1-methylcyclopropyl)methanone (CID 130635119) is 2-azabicyclo[2.2.1]heptan-2-yl-(1-methylcyclopropyl)methanone.
What is the SMILES notation for 2-azabicyclo[2.2.1]heptan-2-yl-(1-methylcyclopropyl)methanone?
The canonical SMILES for 2-azabicyclo[2.2.1]heptan-2-yl-(1-methylcyclopropyl)methanone is CC1(C(=O)N2CC3CCC2C3)CC1.
What is the InChIKey of 2-azabicyclo[2.2.1]heptan-2-yl-(1-methylcyclopropyl)methanone?
The InChIKey is MSNKPEVTNXPVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-11(4-5-11)10(13)12-7-8-2-3-9(12)6-8/h8-9H,2-7H2,1H3.
What are the key properties of 2-azabicyclo[2.2.1]heptan-2-yl-(1-methylcyclopropyl)methanone?
2-azabicyclo[2.2.1]heptan-2-yl-(1-methylcyclopropyl)methanone has a molecular weight of 179.26 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.1]heptan-2-yl-(1-methylcyclopropyl)methanone is sourced from PubChem (CID 130635119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).