N-[(Z)-hex-2-enylidene]acetamide

C8H13NO — CID 123736155

IUPACN-[(Z)-hex-2-enylidene]acetamide
SMILESCCC/C=C\C=N\C(C)=O
InChIInChI=1S/C8H13NO/c1-3-4-5-6-7-9-8(2)10/h5-7H,3-4H2,1-2H3/b6-5-,9-7+
InChIKeyQFJCYRAKKWYUGE-BZWSEGBZSA-N
MW139.20 g/mol
LogP1.96
Rot. Bonds3

About N-[(Z)-hex-2-enylidene]acetamide

N-[(Z)-hex-2-enylidene]acetamide (PubChem CID 123736155) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is N-[(Z)-hex-2-enylidene]acetamide.

Molecular Properties

Compound NameN-[(Z)-hex-2-enylidene]acetamide
PubChem CID123736155
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC NameN-[(Z)-hex-2-enylidene]acetamide
SMILESCCC/C=C\C=N\C(C)=O
InChIInChI=1S/C8H13NO/c1-3-4-5-6-7-9-8(2)10/h5-7H,3-4H2,1-2H3/b6-5-,9-7+
InChIKeyQFJCYRAKKWYUGE-BZWSEGBZSA-N
XLogP1.96
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-Aza-cyclohexa-2,4-dienone
CID 12489850
(213C)3H-pyridin-2-one
CID 56998722
3,3-Dimethylpyridin-2-one
CID 69704256
3,4,7,8-Tetrahydroazonin-2-one
CID 91392549
N-[(2Z,4Z)-3-methylhexa-2,4-dienylidene]acetamide
CID 118155165
N-[(E)-3,4-dimethylpent-2-enylidene]acetamide
CID 122696493
6-Methyliminohex-4-en-2-one
CID 123302516
N-[(Z)-but-2-enylidene]acetamide
CID 154555401
N-[(2Z,4Z)-3-ethylhexa-2,4-dienylidene]-2-methylpropanamide
CID 163872501
ethane;3H-pyridin-2-one
CID 169216497

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-hex-2-enylidene]acetamide?
The IUPAC name of N-[(Z)-hex-2-enylidene]acetamide (CID 123736155) is N-[(Z)-hex-2-enylidene]acetamide.
What is the SMILES notation for N-[(Z)-hex-2-enylidene]acetamide?
The canonical SMILES for N-[(Z)-hex-2-enylidene]acetamide is CCC/C=C\C=N\C(C)=O.
What is the InChIKey of N-[(Z)-hex-2-enylidene]acetamide?
The InChIKey is QFJCYRAKKWYUGE-BZWSEGBZSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-4-5-6-7-9-8(2)10/h5-7H,3-4H2,1-2H3/b6-5-,9-7+.
What are the key properties of N-[(Z)-hex-2-enylidene]acetamide?
N-[(Z)-hex-2-enylidene]acetamide has a molecular weight of 139.20 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-hex-2-enylidene]acetamide is sourced from PubChem (CID 123736155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).