N-[(1R,5S)-3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-methylpropanamide

C11H18N2O2 — CID 58129263

IUPACN-[(1R,5S)-3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-methylpropanamide
SMILESCC(=O)N1C[C@@H]2C(NC(=O)C(C)C)[C@@H]2C1
InChIInChI=1S/C11H18N2O2/c1-6(2)11(15)12-10-8-4-13(7(3)14)5-9(8)10/h6,8-10H,4-5H2,1-3H3,(H,12,15)/t8-,9+,10?
InChIKeyPPNOQDUHNDUBAN-ULKQDVFKSA-N
MW210.28 g/mol
LogP0.24
Rot. Bonds2

About N-[(1R,5S)-3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-methylpropanamide

N-[(1R,5S)-3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-methylpropanamide (PubChem CID 58129263) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-[(1R,5S)-3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(1R,5S)-3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-methylpropanamide
PubChem CID58129263
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN-[(1R,5S)-3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-methylpropanamide
SMILESCC(=O)N1C[C@@H]2C(NC(=O)C(C)C)[C@@H]2C1
InChIInChI=1S/C11H18N2O2/c1-6(2)11(15)12-10-8-4-13(7(3)14)5-9(8)10/h6,8-10H,4-5H2,1-3H3,(H,12,15)/t8-,9+,10?
InChIKeyPPNOQDUHNDUBAN-ULKQDVFKSA-N
XLogP0.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,5S)-3-[(1R,5S)-bicyclo[3.1.0]hexane-6-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-methylpropanamide
CID 167991106
N-(3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl)formamide
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2-methyl-N-[1-(2-methylbutan-2-yl)azetidin-3-yl]propanamide
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2-methyl-N-(1-propanoylpiperidin-4-yl)propanamide
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2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide
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N-(1-acetylazetidin-3-yl)prop-2-enamide
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2-methyl-N-(1-methylsulfonylazetidin-3-yl)propanamide
CID 70852288
3-acetyl-3-azabicyclo[3.1.0]hexane-6-carbonitrile
CID 141105153
1-(3,5-dimethyl-4-propan-2-ylpiperazin-1-yl)ethanone
CID 163675775

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S)-3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-methylpropanamide?
The IUPAC name of N-[(1R,5S)-3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-methylpropanamide (CID 58129263) is N-[(1R,5S)-3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(1R,5S)-3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-methylpropanamide?
The canonical SMILES for N-[(1R,5S)-3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-methylpropanamide is CC(=O)N1C[C@@H]2C(NC(=O)C(C)C)[C@@H]2C1.
What is the InChIKey of N-[(1R,5S)-3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-methylpropanamide?
The InChIKey is PPNOQDUHNDUBAN-ULKQDVFKSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-6(2)11(15)12-10-8-4-13(7(3)14)5-9(8)10/h6,8-10H,4-5H2,1-3H3,(H,12,15)/t8-,9+,10?.
What are the key properties of N-[(1R,5S)-3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-methylpropanamide?
N-[(1R,5S)-3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-methylpropanamide has a molecular weight of 210.28 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S)-3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-methylpropanamide is sourced from PubChem (CID 58129263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).