N-(4-methyl-2-methylidenepentyl)prop-2-enamide

C10H17NO — CID 57407652

IUPACN-(4-methyl-2-methylidenepentyl)prop-2-enamide
SMILESC=CC(=O)NCC(=C)CC(C)C
InChIInChI=1S/C10H17NO/c1-5-10(12)11-7-9(4)6-8(2)3/h5,8H,1,4,6-7H2,2-3H3,(H,11,12)
InChIKeyLMMLGSZPVQHEEQ-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.89
Rot. Bonds5

About N-(4-methyl-2-methylidenepentyl)prop-2-enamide

N-(4-methyl-2-methylidenepentyl)prop-2-enamide (PubChem CID 57407652) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-(4-methyl-2-methylidenepentyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-methyl-2-methylidenepentyl)prop-2-enamide
PubChem CID57407652
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-(4-methyl-2-methylidenepentyl)prop-2-enamide
SMILESC=CC(=O)NCC(=C)CC(C)C
InChIInChI=1S/C10H17NO/c1-5-10(12)11-7-9(4)6-8(2)3/h5,8H,1,4,6-7H2,2-3H3,(H,11,12)
InChIKeyLMMLGSZPVQHEEQ-UHFFFAOYSA-N
XLogP1.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-methylidenepentyl)prop-2-enamide?
The IUPAC name of N-(4-methyl-2-methylidenepentyl)prop-2-enamide (CID 57407652) is N-(4-methyl-2-methylidenepentyl)prop-2-enamide.
What is the SMILES notation for N-(4-methyl-2-methylidenepentyl)prop-2-enamide?
The canonical SMILES for N-(4-methyl-2-methylidenepentyl)prop-2-enamide is C=CC(=O)NCC(=C)CC(C)C.
What is the InChIKey of N-(4-methyl-2-methylidenepentyl)prop-2-enamide?
The InChIKey is LMMLGSZPVQHEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-5-10(12)11-7-9(4)6-8(2)3/h5,8H,1,4,6-7H2,2-3H3,(H,11,12).
What are the key properties of N-(4-methyl-2-methylidenepentyl)prop-2-enamide?
N-(4-methyl-2-methylidenepentyl)prop-2-enamide has a molecular weight of 167.25 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-methylidenepentyl)prop-2-enamide is sourced from PubChem (CID 57407652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).