2-(cyclopropylmethyl)-N-propan-2-ylpent-4-enamide

C12H21NO — CID 21366319

IUPAC2-(cyclopropylmethyl)-N-propan-2-ylpent-4-enamide
SMILESC=CCC(CC1CC1)C(=O)NC(C)C
InChIInChI=1S/C12H21NO/c1-4-5-11(8-10-6-7-10)12(14)13-9(2)3/h4,9-11H,1,5-8H2,2-3H3,(H,13,14)
InChIKeyPCEDMBAQFWZORX-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.50
Rot. Bonds6

About 2-(cyclopropylmethyl)-N-propan-2-ylpent-4-enamide

2-(cyclopropylmethyl)-N-propan-2-ylpent-4-enamide (PubChem CID 21366319) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-N-propan-2-ylpent-4-enamide.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-N-propan-2-ylpent-4-enamide
PubChem CID21366319
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-(cyclopropylmethyl)-N-propan-2-ylpent-4-enamide
SMILESC=CCC(CC1CC1)C(=O)NC(C)C
InChIInChI=1S/C12H21NO/c1-4-5-11(8-10-6-7-10)12(14)13-9(2)3/h4,9-11H,1,5-8H2,2-3H3,(H,13,14)
InChIKeyPCEDMBAQFWZORX-UHFFFAOYSA-N
XLogP2.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.50
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 2-(cyclopropylmethyl)-N-propan-2-ylpent-4-enamide?
The IUPAC name of 2-(cyclopropylmethyl)-N-propan-2-ylpent-4-enamide (CID 21366319) is 2-(cyclopropylmethyl)-N-propan-2-ylpent-4-enamide.
What is the SMILES notation for 2-(cyclopropylmethyl)-N-propan-2-ylpent-4-enamide?
The canonical SMILES for 2-(cyclopropylmethyl)-N-propan-2-ylpent-4-enamide is C=CCC(CC1CC1)C(=O)NC(C)C.
What is the InChIKey of 2-(cyclopropylmethyl)-N-propan-2-ylpent-4-enamide?
The InChIKey is PCEDMBAQFWZORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-5-11(8-10-6-7-10)12(14)13-9(2)3/h4,9-11H,1,5-8H2,2-3H3,(H,13,14).
What are the key properties of 2-(cyclopropylmethyl)-N-propan-2-ylpent-4-enamide?
2-(cyclopropylmethyl)-N-propan-2-ylpent-4-enamide has a molecular weight of 195.31 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-N-propan-2-ylpent-4-enamide is sourced from PubChem (CID 21366319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).