N-(cyclopropylmethyl)-2,3-dimethylbut-2-enamide

C10H17NO — CID 123444778

IUPACN-(cyclopropylmethyl)-2,3-dimethylbut-2-enamide
SMILESCC(C)=C(C)C(=O)NCC1CC1
InChIInChI=1S/C10H17NO/c1-7(2)8(3)10(12)11-6-9-4-5-9/h9H,4-6H2,1-3H3,(H,11,12)
InChIKeyKHMXCSIMDNAZIW-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.87
Rot. Bonds3

About N-(cyclopropylmethyl)-2,3-dimethylbut-2-enamide

N-(cyclopropylmethyl)-2,3-dimethylbut-2-enamide (PubChem CID 123444778) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2,3-dimethylbut-2-enamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2,3-dimethylbut-2-enamide
PubChem CID123444778
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-(cyclopropylmethyl)-2,3-dimethylbut-2-enamide
SMILESCC(C)=C(C)C(=O)NCC1CC1
InChIInChI=1S/C10H17NO/c1-7(2)8(3)10(12)11-6-9-4-5-9/h9H,4-6H2,1-3H3,(H,11,12)
InChIKeyKHMXCSIMDNAZIW-UHFFFAOYSA-N
XLogP1.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2,3-dimethylbut-2-enamide?
The IUPAC name of N-(cyclopropylmethyl)-2,3-dimethylbut-2-enamide (CID 123444778) is N-(cyclopropylmethyl)-2,3-dimethylbut-2-enamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2,3-dimethylbut-2-enamide?
The canonical SMILES for N-(cyclopropylmethyl)-2,3-dimethylbut-2-enamide is CC(C)=C(C)C(=O)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2,3-dimethylbut-2-enamide?
The InChIKey is KHMXCSIMDNAZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-7(2)8(3)10(12)11-6-9-4-5-9/h9H,4-6H2,1-3H3,(H,11,12).
What are the key properties of N-(cyclopropylmethyl)-2,3-dimethylbut-2-enamide?
N-(cyclopropylmethyl)-2,3-dimethylbut-2-enamide has a molecular weight of 167.25 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2,3-dimethylbut-2-enamide is sourced from PubChem (CID 123444778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).