1-methyl-3-N-prop-2-enylpyrrole-2,3-diamine

C8H13N3 — CID 145323616

IUPAC1-methyl-3-N-prop-2-enylpyrrole-2,3-diamine
SMILESC=CCNc1ccn(C)c1N
InChIInChI=1S/C8H13N3/c1-3-5-10-7-4-6-11(2)8(7)9/h3-4,6,10H,1,5,9H2,2H3
InChIKeyCRGJSDMKFLDJJA-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.21
Rot. Bonds3

About 1-methyl-3-N-prop-2-enylpyrrole-2,3-diamine

1-methyl-3-N-prop-2-enylpyrrole-2,3-diamine (PubChem CID 145323616) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-methyl-3-N-prop-2-enylpyrrole-2,3-diamine.

Molecular Properties

Compound Name1-methyl-3-N-prop-2-enylpyrrole-2,3-diamine
PubChem CID145323616
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name1-methyl-3-N-prop-2-enylpyrrole-2,3-diamine
SMILESC=CCNc1ccn(C)c1N
InChIInChI=1S/C8H13N3/c1-3-5-10-7-4-6-11(2)8(7)9/h3-4,6,10H,1,5,9H2,2H3
InChIKeyCRGJSDMKFLDJJA-UHFFFAOYSA-N
XLogP1.21
TPSA42.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-N-prop-2-enylbenzene-1,4-diamine
CID 15219986
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CID 104540292
2-iodo-1-N-prop-2-enylbenzene-1,4-diamine
CID 66094796
8-iodo-2-methyl-N-prop-2-enylimidazo[1,2-a]pyridin-7-amine
CID 67377459
methane;1-methyl-5-(prop-2-enylamino)pyrimidine-2,4-dione
CID 143758229
2,4-dimethyl-N-prop-2-enylaniline
CID 11768869
2-(1-hydrazinylethenyl)-N-prop-2-enylaniline
CID 166838231
2-N-ethyl-2-N-methyl-1-N-prop-2-enylbenzene-1,2-diamine
CID 138644287
1-methylindole;N-prop-2-enylprop-2-en-1-amine
CID 68614533
3-[2-amino-6-(prop-2-enylamino)phenyl]propanenitrile
CID 70521252
5-amino-N-methyl-2-(prop-2-enylamino)benzamide
CID 100639501
4-fluoro-2-methyl-N-prop-2-enylaniline
CID 62141811

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-N-prop-2-enylpyrrole-2,3-diamine?
The IUPAC name of 1-methyl-3-N-prop-2-enylpyrrole-2,3-diamine (CID 145323616) is 1-methyl-3-N-prop-2-enylpyrrole-2,3-diamine.
What is the SMILES notation for 1-methyl-3-N-prop-2-enylpyrrole-2,3-diamine?
The canonical SMILES for 1-methyl-3-N-prop-2-enylpyrrole-2,3-diamine is C=CCNc1ccn(C)c1N.
What is the InChIKey of 1-methyl-3-N-prop-2-enylpyrrole-2,3-diamine?
The InChIKey is CRGJSDMKFLDJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-3-5-10-7-4-6-11(2)8(7)9/h3-4,6,10H,1,5,9H2,2H3.
What are the key properties of 1-methyl-3-N-prop-2-enylpyrrole-2,3-diamine?
1-methyl-3-N-prop-2-enylpyrrole-2,3-diamine has a molecular weight of 151.21 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-N-prop-2-enylpyrrole-2,3-diamine is sourced from PubChem (CID 145323616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).