(2-prop-2-enyl-4H-imidazol-5-yl)methanamine

C7H11N3 — CID 171097331

IUPAC(2-prop-2-enyl-4H-imidazol-5-yl)methanamine
SMILESC=CCC1=NCC(CN)=N1
InChIInChI=1S/C7H11N3/c1-2-3-7-9-5-6(4-8)10-7/h2H,1,3-5,8H2
InChIKeyVPZPSQANKQPSDI-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.37
Rot. Bonds3

About (2-prop-2-enyl-4H-imidazol-5-yl)methanamine

(2-prop-2-enyl-4H-imidazol-5-yl)methanamine (PubChem CID 171097331) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is (2-prop-2-enyl-4H-imidazol-5-yl)methanamine.

Molecular Properties

Compound Name(2-prop-2-enyl-4H-imidazol-5-yl)methanamine
PubChem CID171097331
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name(2-prop-2-enyl-4H-imidazol-5-yl)methanamine
SMILESC=CCC1=NCC(CN)=N1
InChIInChI=1S/C7H11N3/c1-2-3-7-9-5-6(4-8)10-7/h2H,1,3-5,8H2
InChIKeyVPZPSQANKQPSDI-UHFFFAOYSA-N
XLogP0.37
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-prop-2-enylimidazole-4-thione
CID 88813344
5-chloro-3-prop-2-enyl-1-sulfanylidene-1,2,4-thiadiazole
CID 175238502
2-methyl-5-prop-2-enylsulfanyl-4H-imidazole
CID 157141455
(5-prop-2-enyl-2-bicyclo[5.1.0]octa-2,4-dienyl)methanamine
CID 123606155
4,5-bis(prop-2-enyl)imidazol-2-one
CID 90204616
2-prop-2-enylsulfanyl-4H-imidazol-5-amine
CID 67802228
2-prop-2-enyl-4,5-dihydro-1H-imidazole
CID 57454900
2,3,5,6-tetrakis(prop-2-enyl)benzene-1,4-diamine
CID 175218179
cyclohexane;bis(prop-2-en-1-amine)
CID 67816454
4-[bis(2-chloroethyl)aminomethyl]-3,5-bis(prop-2-enyl)aniline
CID 24847025
N,N'-dimethyl-N'-(4-prop-2-enyl-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 143504672
4-[bis(2-chloroethyl)aminomethyl]-3,5-bis(prop-2-enyl)aniline;dihydrochloride
CID 24847024

Frequently Asked Questions

What is the IUPAC name of (2-prop-2-enyl-4H-imidazol-5-yl)methanamine?
The IUPAC name of (2-prop-2-enyl-4H-imidazol-5-yl)methanamine (CID 171097331) is (2-prop-2-enyl-4H-imidazol-5-yl)methanamine.
What is the SMILES notation for (2-prop-2-enyl-4H-imidazol-5-yl)methanamine?
The canonical SMILES for (2-prop-2-enyl-4H-imidazol-5-yl)methanamine is C=CCC1=NCC(CN)=N1.
What is the InChIKey of (2-prop-2-enyl-4H-imidazol-5-yl)methanamine?
The InChIKey is VPZPSQANKQPSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-2-3-7-9-5-6(4-8)10-7/h2H,1,3-5,8H2.
What are the key properties of (2-prop-2-enyl-4H-imidazol-5-yl)methanamine?
(2-prop-2-enyl-4H-imidazol-5-yl)methanamine has a molecular weight of 137.19 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-prop-2-enyl-4H-imidazol-5-yl)methanamine is sourced from PubChem (CID 171097331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).