N-[4-(aminomethyl)phenyl]prop-2-enamide

C10H12N2O — CID 82503451

IUPACN-[4-(aminomethyl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C10H12N2O/c1-2-10(13)12-9-5-3-8(7-11)4-6-9/h2-6H,1,7,11H2,(H,12,13)
InChIKeyLNOJQBCYGMAKKK-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.27
Rot. Bonds3

About N-[4-(aminomethyl)phenyl]prop-2-enamide

N-[4-(aminomethyl)phenyl]prop-2-enamide (PubChem CID 82503451) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]prop-2-enamide
PubChem CID82503451
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC NameN-[4-(aminomethyl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C10H12N2O/c1-2-10(13)12-9-5-3-8(7-11)4-6-9/h2-6H,1,7,11H2,(H,12,13)
InChIKeyLNOJQBCYGMAKKK-UHFFFAOYSA-N
XLogP1.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[4-(prop-2-enoylamino)phenyl]acetate
CID 14209754
N-[3-(aminomethyl)-5-methylphenyl]prop-2-enamide
CID 131209369
[4-(prop-2-enoylamino)phenyl]mercury
CID 67534138
[amino-[4-(prop-2-enoylamino)phenyl]methylidene]azanium
CID 137274434
N-[5-(aminomethyl)-2-chlorophenyl]prop-2-enamide
CID 82508219
N-[4-(aminomethyl)-3-methylphenyl]prop-2-enamide
CID 82504711
4-(aminomethyl)-N-(4-ethenylphenyl)benzamide
CID 166434633
N-[4-[(4-aminopyrazol-1-yl)methyl]phenyl]prop-2-enamide
CID 170699202
1-[4-(aminomethyl)phenyl]-3-(4-bromophenyl)urea
CID 68938927
1-[[2-[4-(prop-2-enoylamino)phenyl]acetyl]amino]cyclopentane-1-carboxamide
CID 166421213
1-[[2-[4-(prop-2-enoylamino)phenyl]acetyl]amino]cyclobutane-1-carboxamide
CID 166421359
[3-[3-[4-(prop-2-enoylamino)phenyl]propanoylamino]phenyl]carbamic acid
CID 138682756

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]prop-2-enamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]prop-2-enamide (CID 82503451) is N-[4-(aminomethyl)phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]prop-2-enamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]prop-2-enamide?
The InChIKey is LNOJQBCYGMAKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-2-10(13)12-9-5-3-8(7-11)4-6-9/h2-6H,1,7,11H2,(H,12,13).
What are the key properties of N-[4-(aminomethyl)phenyl]prop-2-enamide?
N-[4-(aminomethyl)phenyl]prop-2-enamide has a molecular weight of 176.22 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 82503451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).