2-amino-N-buta-2,3-dienylbenzamide

C11H12N2O — CID 102220906

IUPAC2-amino-N-buta-2,3-dienylbenzamide
SMILESC=C=CCNC(=O)c1ccccc1N
InChIInChI=1S/C11H12N2O/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12/h3-7H,1,8,12H2,(H,13,14)
InChIKeyMRGLWADUWVQWGM-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.34
Rot. Bonds3

About 2-amino-N-buta-2,3-dienylbenzamide

2-amino-N-buta-2,3-dienylbenzamide (PubChem CID 102220906) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-amino-N-buta-2,3-dienylbenzamide.

Molecular Properties

Compound Name2-amino-N-buta-2,3-dienylbenzamide
PubChem CID102220906
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-amino-N-buta-2,3-dienylbenzamide
SMILESC=C=CCNC(=O)c1ccccc1N
InChIInChI=1S/C11H12N2O/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12/h3-7H,1,8,12H2,(H,13,14)
InChIKeyMRGLWADUWVQWGM-UHFFFAOYSA-N
XLogP1.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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3-amino-2-methyl-N-prop-2-enylbenzamide
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2-amino-N-(2-hydroxypropyl)benzamide;hydrochloride
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CID 43551552
2-amino-N-methanethioylbenzamide
CID 130277933
2-amino-N-[(4-chlorophenyl)methyl]benzamide
CID 7312564
2-amino-N-(3-amino-2,2-difluoropropyl)benzamide
CID 122081037
2-amino-N-dodecylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-buta-2,3-dienylbenzamide?
The IUPAC name of 2-amino-N-buta-2,3-dienylbenzamide (CID 102220906) is 2-amino-N-buta-2,3-dienylbenzamide.
What is the SMILES notation for 2-amino-N-buta-2,3-dienylbenzamide?
The canonical SMILES for 2-amino-N-buta-2,3-dienylbenzamide is C=C=CCNC(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-buta-2,3-dienylbenzamide?
The InChIKey is MRGLWADUWVQWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12/h3-7H,1,8,12H2,(H,13,14).
What are the key properties of 2-amino-N-buta-2,3-dienylbenzamide?
2-amino-N-buta-2,3-dienylbenzamide has a molecular weight of 188.23 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-buta-2,3-dienylbenzamide is sourced from PubChem (CID 102220906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).