N-[(3-methylcyclopent-2-en-1-ylidene)amino]cyclopropanecarboxamide

C10H14N2O — CID 4086898

IUPACN-[(3-methylcyclopent-2-en-1-ylidene)amino]cyclopropanecarboxamide
SMILESCC1=CC(=NNC(=O)C2CC2)CC1
InChIInChI=1S/C10H14N2O/c1-7-2-5-9(6-7)11-12-10(13)8-3-4-8/h6,8H,2-5H2,1H3,(H,12,13)
InChIKeyVRUMVIVKJJRCOX-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.61
Rot. Bonds2

About N-[(3-methylcyclopent-2-en-1-ylidene)amino]cyclopropanecarboxamide

N-[(3-methylcyclopent-2-en-1-ylidene)amino]cyclopropanecarboxamide (PubChem CID 4086898) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is N-[(3-methylcyclopent-2-en-1-ylidene)amino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(3-methylcyclopent-2-en-1-ylidene)amino]cyclopropanecarboxamide
PubChem CID4086898
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC NameN-[(3-methylcyclopent-2-en-1-ylidene)amino]cyclopropanecarboxamide
SMILESCC1=CC(=NNC(=O)C2CC2)CC1
InChIInChI=1S/C10H14N2O/c1-7-2-5-9(6-7)11-12-10(13)8-3-4-8/h6,8H,2-5H2,1H3,(H,12,13)
InChIKeyVRUMVIVKJJRCOX-UHFFFAOYSA-N
XLogP1.61
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.61
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-[(3-methylcyclopent-2-en-1-ylidene)amino]cyclopropanecarboxamide?
The IUPAC name of N-[(3-methylcyclopent-2-en-1-ylidene)amino]cyclopropanecarboxamide (CID 4086898) is N-[(3-methylcyclopent-2-en-1-ylidene)amino]cyclopropanecarboxamide.
What is the SMILES notation for N-[(3-methylcyclopent-2-en-1-ylidene)amino]cyclopropanecarboxamide?
The canonical SMILES for N-[(3-methylcyclopent-2-en-1-ylidene)amino]cyclopropanecarboxamide is CC1=CC(=NNC(=O)C2CC2)CC1.
What is the InChIKey of N-[(3-methylcyclopent-2-en-1-ylidene)amino]cyclopropanecarboxamide?
The InChIKey is VRUMVIVKJJRCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7-2-5-9(6-7)11-12-10(13)8-3-4-8/h6,8H,2-5H2,1H3,(H,12,13).
What are the key properties of N-[(3-methylcyclopent-2-en-1-ylidene)amino]cyclopropanecarboxamide?
N-[(3-methylcyclopent-2-en-1-ylidene)amino]cyclopropanecarboxamide has a molecular weight of 178.24 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylcyclopent-2-en-1-ylidene)amino]cyclopropanecarboxamide is sourced from PubChem (CID 4086898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).