(2E)-N-ethenyl-2-prop-2-enylidenepyrrol-3-amine

C9H10N2 — CID 129034716

IUPAC(2E)-N-ethenyl-2-prop-2-enylidenepyrrol-3-amine
SMILESC=C/C=C1/N=CC=C1NC=C
InChIInChI=1S/C9H10N2/c1-3-5-8-9(10-4-2)6-7-11-8/h3-7,10H,1-2H2/b8-5+
InChIKeyBGOPTLVQIXAIKI-VMPITWQZSA-N
MW146.19 g/mol
LogP1.76
Rot. Bonds3

About (2E)-N-ethenyl-2-prop-2-enylidenepyrrol-3-amine

(2E)-N-ethenyl-2-prop-2-enylidenepyrrol-3-amine (PubChem CID 129034716) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is (2E)-N-ethenyl-2-prop-2-enylidenepyrrol-3-amine.

Molecular Properties

Compound Name(2E)-N-ethenyl-2-prop-2-enylidenepyrrol-3-amine
PubChem CID129034716
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name(2E)-N-ethenyl-2-prop-2-enylidenepyrrol-3-amine
SMILESC=C/C=C1/N=CC=C1NC=C
InChIInChI=1S/C9H10N2/c1-3-5-8-9(10-4-2)6-7-11-8/h3-7,10H,1-2H2/b8-5+
InChIKeyBGOPTLVQIXAIKI-VMPITWQZSA-N
XLogP1.76
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2E)-N-ethenyl-2-prop-2-enylidenepyrrol-3-amine?
The IUPAC name of (2E)-N-ethenyl-2-prop-2-enylidenepyrrol-3-amine (CID 129034716) is (2E)-N-ethenyl-2-prop-2-enylidenepyrrol-3-amine.
What is the SMILES notation for (2E)-N-ethenyl-2-prop-2-enylidenepyrrol-3-amine?
The canonical SMILES for (2E)-N-ethenyl-2-prop-2-enylidenepyrrol-3-amine is C=C/C=C1/N=CC=C1NC=C.
What is the InChIKey of (2E)-N-ethenyl-2-prop-2-enylidenepyrrol-3-amine?
The InChIKey is BGOPTLVQIXAIKI-VMPITWQZSA-N. The full InChI is InChI=1S/C9H10N2/c1-3-5-8-9(10-4-2)6-7-11-8/h3-7,10H,1-2H2/b8-5+.
What are the key properties of (2E)-N-ethenyl-2-prop-2-enylidenepyrrol-3-amine?
(2E)-N-ethenyl-2-prop-2-enylidenepyrrol-3-amine has a molecular weight of 146.19 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-ethenyl-2-prop-2-enylidenepyrrol-3-amine is sourced from PubChem (CID 129034716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).