N-[(1Z)-1-(3-methylcyclopentylidene)pentan-2-yl]formamide

C12H21NO — CID 89073710

IUPACN-[(1Z)-1-(3-methylcyclopentylidene)pentan-2-yl]formamide
SMILESCCCC(/C=C1/CCC(C)C1)NC=O
InChIInChI=1S/C12H21NO/c1-3-4-12(13-9-14)8-11-6-5-10(2)7-11/h8-10,12H,3-7H2,1-2H3,(H,13,14)/b11-8-
InChIKeyKIRMVYTVGQCOME-FLIBITNWSA-N
MW195.31 g/mol
LogP2.65
Rot. Bonds5

About N-[(1Z)-1-(3-methylcyclopentylidene)pentan-2-yl]formamide

N-[(1Z)-1-(3-methylcyclopentylidene)pentan-2-yl]formamide (PubChem CID 89073710) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[(1Z)-1-(3-methylcyclopentylidene)pentan-2-yl]formamide.

Molecular Properties

Compound NameN-[(1Z)-1-(3-methylcyclopentylidene)pentan-2-yl]formamide
PubChem CID89073710
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-[(1Z)-1-(3-methylcyclopentylidene)pentan-2-yl]formamide
SMILESCCCC(/C=C1/CCC(C)C1)NC=O
InChIInChI=1S/C12H21NO/c1-3-4-12(13-9-14)8-11-6-5-10(2)7-11/h8-10,12H,3-7H2,1-2H3,(H,13,14)/b11-8-
InChIKeyKIRMVYTVGQCOME-FLIBITNWSA-N
XLogP2.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-1-(3-methylcyclopentylidene)pentan-2-yl]formamide?
The IUPAC name of N-[(1Z)-1-(3-methylcyclopentylidene)pentan-2-yl]formamide (CID 89073710) is N-[(1Z)-1-(3-methylcyclopentylidene)pentan-2-yl]formamide.
What is the SMILES notation for N-[(1Z)-1-(3-methylcyclopentylidene)pentan-2-yl]formamide?
The canonical SMILES for N-[(1Z)-1-(3-methylcyclopentylidene)pentan-2-yl]formamide is CCCC(/C=C1/CCC(C)C1)NC=O.
What is the InChIKey of N-[(1Z)-1-(3-methylcyclopentylidene)pentan-2-yl]formamide?
The InChIKey is KIRMVYTVGQCOME-FLIBITNWSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-4-12(13-9-14)8-11-6-5-10(2)7-11/h8-10,12H,3-7H2,1-2H3,(H,13,14)/b11-8-.
What are the key properties of N-[(1Z)-1-(3-methylcyclopentylidene)pentan-2-yl]formamide?
N-[(1Z)-1-(3-methylcyclopentylidene)pentan-2-yl]formamide has a molecular weight of 195.31 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1-(3-methylcyclopentylidene)pentan-2-yl]formamide is sourced from PubChem (CID 89073710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).