N-[(1S)-3-iminocyclopentyl]cyclopropanecarboxamide

C9H14N2O — CID 146670867

IUPACN-[(1S)-3-iminocyclopentyl]cyclopropanecarboxamide
SMILES[H]/N=C1\CC[C@H](NC(=O)C2CC2)C1
InChIInChI=1S/C9H14N2O/c10-7-3-4-8(5-7)11-9(12)6-1-2-6/h6,8,10H,1-5H2,(H,11,12)/b10-7+/t8-/m0/s1
InChIKeyMOVKTXIPBMCYMJ-VKHJRQFRSA-N
MW166.22 g/mol
LogP1.08
Rot. Bonds2

About N-[(1S)-3-iminocyclopentyl]cyclopropanecarboxamide

N-[(1S)-3-iminocyclopentyl]cyclopropanecarboxamide (PubChem CID 146670867) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N-[(1S)-3-iminocyclopentyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(1S)-3-iminocyclopentyl]cyclopropanecarboxamide
PubChem CID146670867
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN-[(1S)-3-iminocyclopentyl]cyclopropanecarboxamide
SMILES[H]/N=C1\CC[C@H](NC(=O)C2CC2)C1
InChIInChI=1S/C9H14N2O/c10-7-3-4-8(5-7)11-9(12)6-1-2-6/h6,8,10H,1-5H2,(H,11,12)/b10-7+/t8-/m0/s1
InChIKeyMOVKTXIPBMCYMJ-VKHJRQFRSA-N
XLogP1.08
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
N-(3-oxocyclohexyl)cyclohexanecarboxamide
CID 164677929
N-cycloheptylcycloheptanecarboxamide
CID 129091005
N-cyclopropylcycloheptanecarboxamide
CID 62778853
N-cyclopropylcyclohexanecarboxamide
CID 3412875
N-cyclopentylcyclobutanecarboxamide
CID 21158774
N-cyclodecylcyclododecanecarboxamide
CID 135182352
4-(cyclobutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784542
N-cyclopent-3-en-1-ylcyclopropanecarboxamide
CID 115696635
acetaldehyde;N-cyclohexylcyclopropanecarboxamide
CID 143959717
N-piperidin-4-ylcyclopropanecarboxamide
CID 1445166
cis-(1R,3S)-3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120679065

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-iminocyclopentyl]cyclopropanecarboxamide?
The IUPAC name of N-[(1S)-3-iminocyclopentyl]cyclopropanecarboxamide (CID 146670867) is N-[(1S)-3-iminocyclopentyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(1S)-3-iminocyclopentyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(1S)-3-iminocyclopentyl]cyclopropanecarboxamide is [H]/N=C1\CC[C@H](NC(=O)C2CC2)C1.
What is the InChIKey of N-[(1S)-3-iminocyclopentyl]cyclopropanecarboxamide?
The InChIKey is MOVKTXIPBMCYMJ-VKHJRQFRSA-N. The full InChI is InChI=1S/C9H14N2O/c10-7-3-4-8(5-7)11-9(12)6-1-2-6/h6,8,10H,1-5H2,(H,11,12)/b10-7+/t8-/m0/s1.
What are the key properties of N-[(1S)-3-iminocyclopentyl]cyclopropanecarboxamide?
N-[(1S)-3-iminocyclopentyl]cyclopropanecarboxamide has a molecular weight of 166.22 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-iminocyclopentyl]cyclopropanecarboxamide is sourced from PubChem (CID 146670867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).