N-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylpropanamide

C10H15NO — CID 59251199

IUPACN-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylpropanamide
SMILESCC(C)C(=O)NCC1=CC=CC1
InChIInChI=1S/C10H15NO/c1-8(2)10(12)11-7-9-5-3-4-6-9/h3-5,8H,6-7H2,1-2H3,(H,11,12)
InChIKeyHWVLVQBTZQRKHE-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.64
Rot. Bonds3

About N-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylpropanamide

N-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylpropanamide (PubChem CID 59251199) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylpropanamide
PubChem CID59251199
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylpropanamide
SMILESCC(C)C(=O)NCC1=CC=CC1
InChIInChI=1S/C10H15NO/c1-8(2)10(12)11-7-9-5-3-4-6-9/h3-5,8H,6-7H2,1-2H3,(H,11,12)
InChIKeyHWVLVQBTZQRKHE-UHFFFAOYSA-N
XLogP1.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylpropanamide?
The IUPAC name of N-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylpropanamide (CID 59251199) is N-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylpropanamide.
What is the SMILES notation for N-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylpropanamide?
The canonical SMILES for N-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylpropanamide is CC(C)C(=O)NCC1=CC=CC1.
What is the InChIKey of N-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylpropanamide?
The InChIKey is HWVLVQBTZQRKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-8(2)10(12)11-7-9-5-3-4-6-9/h3-5,8H,6-7H2,1-2H3,(H,11,12).
What are the key properties of N-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylpropanamide?
N-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylpropanamide has a molecular weight of 165.24 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylpropanamide is sourced from PubChem (CID 59251199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).