N-(1-methylcyclopropyl)pent-4-enamide

C9H15NO — CID 131210257

IUPACN-(1-methylcyclopropyl)pent-4-enamide
SMILESC=CCCC(=O)NC1(C)CC1
InChIInChI=1S/C9H15NO/c1-3-4-5-8(11)10-9(2)6-7-9/h3H,1,4-7H2,2H3,(H,10,11)
InChIKeyBNNUPQKTNLCOTN-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.62
Rot. Bonds4

About N-(1-methylcyclopropyl)pent-4-enamide

N-(1-methylcyclopropyl)pent-4-enamide (PubChem CID 131210257) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-(1-methylcyclopropyl)pent-4-enamide.

Molecular Properties

Compound NameN-(1-methylcyclopropyl)pent-4-enamide
PubChem CID131210257
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-(1-methylcyclopropyl)pent-4-enamide
SMILESC=CCCC(=O)NC1(C)CC1
InChIInChI=1S/C9H15NO/c1-3-4-5-8(11)10-9(2)6-7-9/h3H,1,4-7H2,2H3,(H,10,11)
InChIKeyBNNUPQKTNLCOTN-UHFFFAOYSA-N
XLogP1.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclopropyl)pent-4-enamide?
The IUPAC name of N-(1-methylcyclopropyl)pent-4-enamide (CID 131210257) is N-(1-methylcyclopropyl)pent-4-enamide.
What is the SMILES notation for N-(1-methylcyclopropyl)pent-4-enamide?
The canonical SMILES for N-(1-methylcyclopropyl)pent-4-enamide is C=CCCC(=O)NC1(C)CC1.
What is the InChIKey of N-(1-methylcyclopropyl)pent-4-enamide?
The InChIKey is BNNUPQKTNLCOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-4-5-8(11)10-9(2)6-7-9/h3H,1,4-7H2,2H3,(H,10,11).
What are the key properties of N-(1-methylcyclopropyl)pent-4-enamide?
N-(1-methylcyclopropyl)pent-4-enamide has a molecular weight of 153.22 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclopropyl)pent-4-enamide is sourced from PubChem (CID 131210257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).