4-ethenyl-5-(methylideneamino)-1H-pyrrol-3-amine

C7H9N3 — CID 166528890

IUPAC4-ethenyl-5-(methylideneamino)-1H-pyrrol-3-amine
SMILESC=Cc1c(N)c[nH]c1N=C
InChIInChI=1S/C7H9N3/c1-3-5-6(8)4-10-7(5)9-2/h3-4,10H,1-2,8H2
InChIKeyAENIKNQRXDUNCN-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.57
Rot. Bonds2

About 4-ethenyl-5-(methylideneamino)-1H-pyrrol-3-amine

4-ethenyl-5-(methylideneamino)-1H-pyrrol-3-amine (PubChem CID 166528890) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 4-ethenyl-5-(methylideneamino)-1H-pyrrol-3-amine.

Molecular Properties

Compound Name4-ethenyl-5-(methylideneamino)-1H-pyrrol-3-amine
PubChem CID166528890
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name4-ethenyl-5-(methylideneamino)-1H-pyrrol-3-amine
SMILESC=Cc1c(N)c[nH]c1N=C
InChIInChI=1S/C7H9N3/c1-3-5-6(8)4-10-7(5)9-2/h3-4,10H,1-2,8H2
InChIKeyAENIKNQRXDUNCN-UHFFFAOYSA-N
XLogP1.57
TPSA54.17 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[4-ethenyl-5-(methylideneamino)-1H-pyrrol-3-yl]benzamide
CID 143117636
ethane;N-methyl-1-[4-methyl-2-(methylideneamino)-1H-pyrrol-3-yl]methanimine
CID 143572314
N-(3-ethenyl-1H-pyrrol-2-yl)methanimine
CID 142590840
2-bromo-3,4-bis(ethenyl)aniline
CID 166695071
3-bromo-2-ethenyl-4-methylaniline
CID 154990614
N-[4-[1-[2-chloro-6-(difluoromethoxy)-3-fluorophenyl]-2-fluoroethyl]-3-ethenyl-1H-pyrrol-2-yl]methanimine
CID 123880239
2,3-bis(ethenyl)-4-methyl-1H-pyrrole;ethane
CID 142006410
2,3-bis(ethenyl)aniline
CID 22666736
3,4-bis(ethenyl)-2-propan-2-ylaniline
CID 144871801
N-(3-ethenyl-1,4-dimethylpyrrol-2-yl)methanimine
CID 143838717
2,3-bis(ethenyl)-4-ethyl-1H-pyrrole
CID 142984451
4-ethenyl-5-(methylideneamino)-1,2-dihydropyridazine-3,6-dione
CID 142388325

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-5-(methylideneamino)-1H-pyrrol-3-amine?
The IUPAC name of 4-ethenyl-5-(methylideneamino)-1H-pyrrol-3-amine (CID 166528890) is 4-ethenyl-5-(methylideneamino)-1H-pyrrol-3-amine.
What is the SMILES notation for 4-ethenyl-5-(methylideneamino)-1H-pyrrol-3-amine?
The canonical SMILES for 4-ethenyl-5-(methylideneamino)-1H-pyrrol-3-amine is C=Cc1c(N)c[nH]c1N=C.
What is the InChIKey of 4-ethenyl-5-(methylideneamino)-1H-pyrrol-3-amine?
The InChIKey is AENIKNQRXDUNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-3-5-6(8)4-10-7(5)9-2/h3-4,10H,1-2,8H2.
What are the key properties of 4-ethenyl-5-(methylideneamino)-1H-pyrrol-3-amine?
4-ethenyl-5-(methylideneamino)-1H-pyrrol-3-amine has a molecular weight of 135.17 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-(methylideneamino)-1H-pyrrol-3-amine is sourced from PubChem (CID 166528890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).