N-[(2S)-4-methylpent-3-en-2-yl]acetamide

C8H15NO — CID 134965652

IUPACN-[(2S)-4-methylpent-3-en-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)C=C(C)C
InChIInChI=1S/C8H15NO/c1-6(2)5-7(3)9-8(4)10/h5,7H,1-4H3,(H,9,10)/t7-/m0/s1
InChIKeyKIYLEBTWRICZES-ZETCQYMHSA-N
MW141.21 g/mol
LogP1.48
Rot. Bonds2

About N-[(2S)-4-methylpent-3-en-2-yl]acetamide

N-[(2S)-4-methylpent-3-en-2-yl]acetamide (PubChem CID 134965652) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-[(2S)-4-methylpent-3-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-4-methylpent-3-en-2-yl]acetamide
PubChem CID134965652
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-[(2S)-4-methylpent-3-en-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)C=C(C)C
InChIInChI=1S/C8H15NO/c1-6(2)5-7(3)9-8(4)10/h5,7H,1-4H3,(H,9,10)/t7-/m0/s1
InChIKeyKIYLEBTWRICZES-ZETCQYMHSA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-[(4E)-hexa-1,4-dien-3-yl]acetamide
CID 10535774
3,6-Dimethyl-5,6-dihydropyridin-2(1h)-one
CID 12007567
N-(2-fluoro-4-methylcyclohexa-2,4-dien-1-yl)acetamide
CID 156217919
N-(3-Methyl-2-butenyl)acetamide
CID 550766
N-[(E)-pent-2-enyl]acetamide
CID 22400801
(2R)-2-propan-2-yl-2,5-dihydro-1H-pyridin-6-one
CID 55286113
5-Ethyl-3,6-dihydropyridin-2(1h)-one
CID 55288091
N-cyclohepta-2,4,6-trien-1-ylacetamide
CID 55288496
N-[(E,2S)-hex-3-en-2-yl]acetamide
CID 134947978
N-(1-cyclohexa-1,5-dien-1-ylethyl)acetamide
CID 135037979
N-[(E,3R)-hex-4-en-3-yl]acetamide
CID 135038134
N-[(2R)-6,10-dimethylundeca-5,9-dien-2-yl]acetamide
CID 135075295

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-methylpent-3-en-2-yl]acetamide?
The IUPAC name of N-[(2S)-4-methylpent-3-en-2-yl]acetamide (CID 134965652) is N-[(2S)-4-methylpent-3-en-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-4-methylpent-3-en-2-yl]acetamide?
The canonical SMILES for N-[(2S)-4-methylpent-3-en-2-yl]acetamide is CC(=O)N[C@@H](C)C=C(C)C.
What is the InChIKey of N-[(2S)-4-methylpent-3-en-2-yl]acetamide?
The InChIKey is KIYLEBTWRICZES-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15NO/c1-6(2)5-7(3)9-8(4)10/h5,7H,1-4H3,(H,9,10)/t7-/m0/s1.
What are the key properties of N-[(2S)-4-methylpent-3-en-2-yl]acetamide?
N-[(2S)-4-methylpent-3-en-2-yl]acetamide has a molecular weight of 141.21 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-methylpent-3-en-2-yl]acetamide is sourced from PubChem (CID 134965652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).