N-[(2Z)-4-aminopenta-2,4-dien-2-yl]acetamide

C7H12N2O — CID 139357083

IUPACN-[(2Z)-4-aminopenta-2,4-dien-2-yl]acetamide
SMILESC=C(N)/C=C(/C)NC(C)=O
InChIInChI=1S/C7H12N2O/c1-5(8)4-6(2)9-7(3)10/h4H,1,8H2,2-3H3,(H,9,10)/b6-4-
InChIKeySIWKFJNTVYWGAY-XQRVVYSFSA-N
MW140.19 g/mol
LogP0.50
Rot. Bonds2

About N-[(2Z)-4-aminopenta-2,4-dien-2-yl]acetamide

N-[(2Z)-4-aminopenta-2,4-dien-2-yl]acetamide (PubChem CID 139357083) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is N-[(2Z)-4-aminopenta-2,4-dien-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2Z)-4-aminopenta-2,4-dien-2-yl]acetamide
PubChem CID139357083
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC NameN-[(2Z)-4-aminopenta-2,4-dien-2-yl]acetamide
SMILESC=C(N)/C=C(/C)NC(C)=O
InChIInChI=1S/C7H12N2O/c1-5(8)4-6(2)9-7(3)10/h4H,1,8H2,2-3H3,(H,9,10)/b6-4-
InChIKeySIWKFJNTVYWGAY-XQRVVYSFSA-N
XLogP0.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-4-oxopent-2-en-2-yl]urea
CID 13320940
propan-2-yl (E)-3-acetamidobut-2-enoate
CID 10750015
N-[(E)-4-oxobut-2-en-2-yl]acetamide
CID 89080248
N-[(3E)-2-aminohexa-1,3,5-trien-3-yl]acetamide;ethane
CID 143930163
(E)-3-(2-methylprop-2-enoylamino)but-2-enoic acid
CID 88902776
5-amino-4-hydroxyhexa-3,5-dien-2-one
CID 91521118
tris(N-acetylacetamide);gallane
CID 175572719
N-[(E)-1-methoxy-3-oxobut-1-enyl]acetamide
CID 11159457
(1E,3E)-1-methoxyhexa-1,3,5-triene-1,3,5-triamine
CID 89010016
(3Z)-penta-1,3-diene-2,4-diamine;propane
CID 144731148
N-[(1E,3Z)-1-amino-5-methylhexa-1,3,5-trien-2-yl]acetamide
CID 89013106
N-[3-methylidene-5-(trimethyl-λ4-sulfanyl)penta-1,4-dien-2-yl]acetamide
CID 123534155

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-4-aminopenta-2,4-dien-2-yl]acetamide?
The IUPAC name of N-[(2Z)-4-aminopenta-2,4-dien-2-yl]acetamide (CID 139357083) is N-[(2Z)-4-aminopenta-2,4-dien-2-yl]acetamide.
What is the SMILES notation for N-[(2Z)-4-aminopenta-2,4-dien-2-yl]acetamide?
The canonical SMILES for N-[(2Z)-4-aminopenta-2,4-dien-2-yl]acetamide is C=C(N)/C=C(/C)NC(C)=O.
What is the InChIKey of N-[(2Z)-4-aminopenta-2,4-dien-2-yl]acetamide?
The InChIKey is SIWKFJNTVYWGAY-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H12N2O/c1-5(8)4-6(2)9-7(3)10/h4H,1,8H2,2-3H3,(H,9,10)/b6-4-.
What are the key properties of N-[(2Z)-4-aminopenta-2,4-dien-2-yl]acetamide?
N-[(2Z)-4-aminopenta-2,4-dien-2-yl]acetamide has a molecular weight of 140.19 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-4-aminopenta-2,4-dien-2-yl]acetamide is sourced from PubChem (CID 139357083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).