N-(1-cyclopropylethenyl)-N-pentylacetamide

C12H21NO — CID 89078616

IUPACN-(1-cyclopropylethenyl)-N-pentylacetamide
SMILESC=C(C1CC1)N(CCCCC)C(C)=O
InChIInChI=1S/C12H21NO/c1-4-5-6-9-13(11(3)14)10(2)12-7-8-12/h12H,2,4-9H2,1,3H3
InChIKeyQTEIIFKYMUMAGW-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.95
Rot. Bonds6

About N-(1-cyclopropylethenyl)-N-pentylacetamide

N-(1-cyclopropylethenyl)-N-pentylacetamide (PubChem CID 89078616) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-(1-cyclopropylethenyl)-N-pentylacetamide.

Molecular Properties

Compound NameN-(1-cyclopropylethenyl)-N-pentylacetamide
PubChem CID89078616
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-(1-cyclopropylethenyl)-N-pentylacetamide
SMILESC=C(C1CC1)N(CCCCC)C(C)=O
InChIInChI=1S/C12H21NO/c1-4-5-6-9-13(11(3)14)10(2)12-7-8-12/h12H,2,4-9H2,1,3H3
InChIKeyQTEIIFKYMUMAGW-UHFFFAOYSA-N
XLogP2.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethenyl)-N-pentylacetamide?
The IUPAC name of N-(1-cyclopropylethenyl)-N-pentylacetamide (CID 89078616) is N-(1-cyclopropylethenyl)-N-pentylacetamide.
What is the SMILES notation for N-(1-cyclopropylethenyl)-N-pentylacetamide?
The canonical SMILES for N-(1-cyclopropylethenyl)-N-pentylacetamide is C=C(C1CC1)N(CCCCC)C(C)=O.
What is the InChIKey of N-(1-cyclopropylethenyl)-N-pentylacetamide?
The InChIKey is QTEIIFKYMUMAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-5-6-9-13(11(3)14)10(2)12-7-8-12/h12H,2,4-9H2,1,3H3.
What are the key properties of N-(1-cyclopropylethenyl)-N-pentylacetamide?
N-(1-cyclopropylethenyl)-N-pentylacetamide has a molecular weight of 195.31 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethenyl)-N-pentylacetamide is sourced from PubChem (CID 89078616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).