(2E)-2-[(Z)-2-methylbut-2-enylidene]pyrrol-3-amine

C9H12N2 — CID 163668779

IUPAC(2E)-2-[(Z)-2-methylbut-2-enylidene]pyrrol-3-amine
SMILESC/C=C(C)\C=C1\N=CC=C1N
InChIInChI=1S/C9H12N2/c1-3-7(2)6-9-8(10)4-5-11-9/h3-6H,10H2,1-2H3/b7-3-,9-6+
InChIKeyGVWCVKSBJVWUBY-UZQZEERZSA-N
MW148.21 g/mol
LogP1.76
Rot. Bonds1

About (2E)-2-[(Z)-2-methylbut-2-enylidene]pyrrol-3-amine

(2E)-2-[(Z)-2-methylbut-2-enylidene]pyrrol-3-amine (PubChem CID 163668779) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is (2E)-2-[(Z)-2-methylbut-2-enylidene]pyrrol-3-amine.

Molecular Properties

Compound Name(2E)-2-[(Z)-2-methylbut-2-enylidene]pyrrol-3-amine
PubChem CID163668779
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name(2E)-2-[(Z)-2-methylbut-2-enylidene]pyrrol-3-amine
SMILESC/C=C(C)\C=C1\N=CC=C1N
InChIInChI=1S/C9H12N2/c1-3-7(2)6-9-8(10)4-5-11-9/h3-6H,10H2,1-2H3/b7-3-,9-6+
InChIKeyGVWCVKSBJVWUBY-UZQZEERZSA-N
XLogP1.76
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
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)-2-[(Z)-2-methylbut-2-enylidene]pyrrol-3-amine?
The IUPAC name of (2E)-2-[(Z)-2-methylbut-2-enylidene]pyrrol-3-amine (CID 163668779) is (2E)-2-[(Z)-2-methylbut-2-enylidene]pyrrol-3-amine.
What is the SMILES notation for (2E)-2-[(Z)-2-methylbut-2-enylidene]pyrrol-3-amine?
The canonical SMILES for (2E)-2-[(Z)-2-methylbut-2-enylidene]pyrrol-3-amine is C/C=C(C)\C=C1\N=CC=C1N.
What is the InChIKey of (2E)-2-[(Z)-2-methylbut-2-enylidene]pyrrol-3-amine?
The InChIKey is GVWCVKSBJVWUBY-UZQZEERZSA-N. The full InChI is InChI=1S/C9H12N2/c1-3-7(2)6-9-8(10)4-5-11-9/h3-6H,10H2,1-2H3/b7-3-,9-6+.
What are the key properties of (2E)-2-[(Z)-2-methylbut-2-enylidene]pyrrol-3-amine?
(2E)-2-[(Z)-2-methylbut-2-enylidene]pyrrol-3-amine has a molecular weight of 148.21 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-2-methylbut-2-enylidene]pyrrol-3-amine is sourced from PubChem (CID 163668779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).