N-[3-(aminomethyl)phenyl]pent-4-enamide

C12H16N2O — CID 63254423

IUPACN-[3-(aminomethyl)phenyl]pent-4-enamide
SMILESC=CCCC(=O)Nc1cccc(CN)c1
InChIInChI=1S/C12H16N2O/c1-2-3-7-12(15)14-11-6-4-5-10(8-11)9-13/h2,4-6,8H,1,3,7,9,13H2,(H,14,15)
InChIKeyZOJPSMCCELMBEI-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.05
Rot. Bonds5

About N-[3-(aminomethyl)phenyl]pent-4-enamide

N-[3-(aminomethyl)phenyl]pent-4-enamide (PubChem CID 63254423) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]pent-4-enamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]pent-4-enamide
PubChem CID63254423
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-[3-(aminomethyl)phenyl]pent-4-enamide
SMILESC=CCCC(=O)Nc1cccc(CN)c1
InChIInChI=1S/C12H16N2O/c1-2-3-7-12(15)14-11-6-4-5-10(8-11)9-13/h2,4-6,8H,1,3,7,9,13H2,(H,14,15)
InChIKeyZOJPSMCCELMBEI-UHFFFAOYSA-N
XLogP2.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(aminomethyl)anilino]-4-oxobutanoic acid
CID 110481799
N-[3-(aminomethyl)phenyl]-3-methylsulfanylpropanamide
CID 63254387
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]pent-4-enamide
CID 120604945
N-[3-(aminomethyl)phenyl]-4-(2-propoxyethoxy)butanamide
CID 63684342
N-[3-(aminomethyl)phenyl]-4-propylsulfonylbutanamide
CID 64698230
4-amino-N-[3-(hydroxymethyl)phenyl]butanamide
CID 43707512
N-[3-(aminomethyl)phenyl]-2-methylsulfanylacetamide
CID 63254431
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
N-[3-(aminomethyl)phenyl]-3-(2-methylphenyl)propanamide
CID 62365496
N-[3-(aminomethyl)phenyl]-4-[ethyl(propan-2-yl)amino]butanamide
CID 43265468
N-[3-(aminomethyl)phenyl]-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide
CID 43374708
N-[3-(hydroxymethyl)phenyl]but-3-enamide
CID 62678719

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]pent-4-enamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]pent-4-enamide (CID 63254423) is N-[3-(aminomethyl)phenyl]pent-4-enamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]pent-4-enamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]pent-4-enamide is C=CCCC(=O)Nc1cccc(CN)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]pent-4-enamide?
The InChIKey is ZOJPSMCCELMBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-2-3-7-12(15)14-11-6-4-5-10(8-11)9-13/h2,4-6,8H,1,3,7,9,13H2,(H,14,15).
What are the key properties of N-[3-(aminomethyl)phenyl]pent-4-enamide?
N-[3-(aminomethyl)phenyl]pent-4-enamide has a molecular weight of 204.27 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]pent-4-enamide is sourced from PubChem (CID 63254423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).