N-(pentan-3-ylideneamino)cyclopropanecarboxamide

C9H16N2O — CID 3321384

IUPACN-(pentan-3-ylideneamino)cyclopropanecarboxamide
SMILESCCC(CC)=NNC(=O)C1CC1
InChIInChI=1S/C9H16N2O/c1-3-8(4-2)10-11-9(12)7-5-6-7/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyQAORUKNEWRELQV-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.69
Rot. Bonds4

About N-(pentan-3-ylideneamino)cyclopropanecarboxamide

N-(pentan-3-ylideneamino)cyclopropanecarboxamide (PubChem CID 3321384) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-(pentan-3-ylideneamino)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(pentan-3-ylideneamino)cyclopropanecarboxamide
PubChem CID3321384
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-(pentan-3-ylideneamino)cyclopropanecarboxamide
SMILESCCC(CC)=NNC(=O)C1CC1
InChIInChI=1S/C9H16N2O/c1-3-8(4-2)10-11-9(12)7-5-6-7/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyQAORUKNEWRELQV-UHFFFAOYSA-N
XLogP1.69
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(pentan-3-ylideneamino)cyclopropanecarboxamide?
The IUPAC name of N-(pentan-3-ylideneamino)cyclopropanecarboxamide (CID 3321384) is N-(pentan-3-ylideneamino)cyclopropanecarboxamide.
What is the SMILES notation for N-(pentan-3-ylideneamino)cyclopropanecarboxamide?
The canonical SMILES for N-(pentan-3-ylideneamino)cyclopropanecarboxamide is CCC(CC)=NNC(=O)C1CC1.
What is the InChIKey of N-(pentan-3-ylideneamino)cyclopropanecarboxamide?
The InChIKey is QAORUKNEWRELQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-8(4-2)10-11-9(12)7-5-6-7/h7H,3-6H2,1-2H3,(H,11,12).
What are the key properties of N-(pentan-3-ylideneamino)cyclopropanecarboxamide?
N-(pentan-3-ylideneamino)cyclopropanecarboxamide has a molecular weight of 168.24 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pentan-3-ylideneamino)cyclopropanecarboxamide is sourced from PubChem (CID 3321384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).