N-(2-cyclopenta-1,4-dien-1-ylpropyl)propanamide

C11H17NO — CID 154974028

IUPACN-(2-cyclopenta-1,4-dien-1-ylpropyl)propanamide
SMILESCCC(=O)NCC(C)C1=CCC=C1
InChIInChI=1S/C11H17NO/c1-3-11(13)12-8-9(2)10-6-4-5-7-10/h4,6-7,9H,3,5,8H2,1-2H3,(H,12,13)
InChIKeySEVVUIGQWPNTLC-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.04
Rot. Bonds4

About N-(2-cyclopenta-1,4-dien-1-ylpropyl)propanamide

N-(2-cyclopenta-1,4-dien-1-ylpropyl)propanamide (PubChem CID 154974028) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-(2-cyclopenta-1,4-dien-1-ylpropyl)propanamide.

Molecular Properties

Compound NameN-(2-cyclopenta-1,4-dien-1-ylpropyl)propanamide
PubChem CID154974028
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-(2-cyclopenta-1,4-dien-1-ylpropyl)propanamide
SMILESCCC(=O)NCC(C)C1=CCC=C1
InChIInChI=1S/C11H17NO/c1-3-11(13)12-8-9(2)10-6-4-5-7-10/h4,6-7,9H,3,5,8H2,1-2H3,(H,12,13)
InChIKeySEVVUIGQWPNTLC-UHFFFAOYSA-N
XLogP2.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopenta-1,4-dien-1-ylpropyl)propanamide?
The IUPAC name of N-(2-cyclopenta-1,4-dien-1-ylpropyl)propanamide (CID 154974028) is N-(2-cyclopenta-1,4-dien-1-ylpropyl)propanamide.
What is the SMILES notation for N-(2-cyclopenta-1,4-dien-1-ylpropyl)propanamide?
The canonical SMILES for N-(2-cyclopenta-1,4-dien-1-ylpropyl)propanamide is CCC(=O)NCC(C)C1=CCC=C1.
What is the InChIKey of N-(2-cyclopenta-1,4-dien-1-ylpropyl)propanamide?
The InChIKey is SEVVUIGQWPNTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-11(13)12-8-9(2)10-6-4-5-7-10/h4,6-7,9H,3,5,8H2,1-2H3,(H,12,13).
What are the key properties of N-(2-cyclopenta-1,4-dien-1-ylpropyl)propanamide?
N-(2-cyclopenta-1,4-dien-1-ylpropyl)propanamide has a molecular weight of 179.26 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopenta-1,4-dien-1-ylpropyl)propanamide is sourced from PubChem (CID 154974028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).