ethane;N-[(2E,4Z)-hepta-2,4-dien-3-yl]acetamide

C11H21NO — CID 143175455

IUPACethane;N-[(2E,4Z)-hepta-2,4-dien-3-yl]acetamide
SMILESC/C=C(\C=C/CC)NC(C)=O.CC
InChIInChI=1S/C9H15NO.C2H6/c1-4-6-7-9(5-2)10-8(3)11;1-2/h5-7H,4H2,1-3H3,(H,10,11);1-2H3/b7-6-,9-5+;
InChIKeySRBXXMMLQFUKKU-YVCPEMMASA-N
MW183.29 g/mol
LogP3.02
Rot. Bonds3

About ethane;N-[(2E,4Z)-hepta-2,4-dien-3-yl]acetamide

ethane;N-[(2E,4Z)-hepta-2,4-dien-3-yl]acetamide (PubChem CID 143175455) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is ethane;N-[(2E,4Z)-hepta-2,4-dien-3-yl]acetamide.

Molecular Properties

Compound Nameethane;N-[(2E,4Z)-hepta-2,4-dien-3-yl]acetamide
PubChem CID143175455
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Nameethane;N-[(2E,4Z)-hepta-2,4-dien-3-yl]acetamide
SMILESC/C=C(\C=C/CC)NC(C)=O.CC
InChIInChI=1S/C9H15NO.C2H6/c1-4-6-7-9(5-2)10-8(3)11;1-2/h5-7H,4H2,1-3H3,(H,10,11);1-2H3/b7-6-,9-5+;
InChIKeySRBXXMMLQFUKKU-YVCPEMMASA-N
XLogP3.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2E,4Z)-6-chlorohexa-2,4-dien-3-yl]acetamide
CID 142119428
N-[(2E,4Z)-hepta-2,4-dien-3-yl]-2-methylprop-2-enamide
CID 144714504
(E,2Z)-N-acetyl-2-ethylidenehex-3-enamide
CID 163760417
ethane;N-[(2Z,4E)-hepta-2,4-dien-4-yl]acetamide
CID 143775186
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]acetamide
CID 129215041
ethane;N-[(3E,5Z)-octa-3,5,7-trien-4-yl]acetamide
CID 144641334
3-ethylidenehept-4-en-2-one
CID 123873548
N-[(2E,4Z)-hepta-2,4-dien-3-yl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 145337642
ethane;(2E,4Z)-N-(3-phenylprop-1-en-2-yl)hepta-2,4-dien-3-amine
CID 142957611
ethane;(3Z)-2-methylhexa-1,3-diene
CID 142130371
(E)-pent-2-enoic acid
CID 638122
methyl N-[(E)-pent-2-enoyl]carbamate
CID 11615207

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(2E,4Z)-hepta-2,4-dien-3-yl]acetamide?
The IUPAC name of ethane;N-[(2E,4Z)-hepta-2,4-dien-3-yl]acetamide (CID 143175455) is ethane;N-[(2E,4Z)-hepta-2,4-dien-3-yl]acetamide.
What is the SMILES notation for ethane;N-[(2E,4Z)-hepta-2,4-dien-3-yl]acetamide?
The canonical SMILES for ethane;N-[(2E,4Z)-hepta-2,4-dien-3-yl]acetamide is C/C=C(\C=C/CC)NC(C)=O.CC.
What is the InChIKey of ethane;N-[(2E,4Z)-hepta-2,4-dien-3-yl]acetamide?
The InChIKey is SRBXXMMLQFUKKU-YVCPEMMASA-N. The full InChI is InChI=1S/C9H15NO.C2H6/c1-4-6-7-9(5-2)10-8(3)11;1-2/h5-7H,4H2,1-3H3,(H,10,11);1-2H3/b7-6-,9-5+;.
What are the key properties of ethane;N-[(2E,4Z)-hepta-2,4-dien-3-yl]acetamide?
ethane;N-[(2E,4Z)-hepta-2,4-dien-3-yl]acetamide has a molecular weight of 183.29 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(2E,4Z)-hepta-2,4-dien-3-yl]acetamide is sourced from PubChem (CID 143175455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).