(Z,3E)-3-methoxy-3-(2-methylidene-1H-pyrrol-3-ylidene)prop-1-en-1-amine

C9H12N2O — CID 89146393

IUPAC(Z,3E)-3-methoxy-3-(2-methylidene-1H-pyrrol-3-ylidene)prop-1-en-1-amine
SMILESC=c1[nH]cc/c1=C(/C=C\N)OC
InChIInChI=1S/C9H12N2O/c1-7-8(4-6-11-7)9(12-2)3-5-10/h3-6,11H,1,10H2,2H3/b5-3-,9-8+
InChIKeyNAZDTPKTOFOGKL-LPUZXQLSSA-N
MW164.21 g/mol
LogP-0.35
Rot. Bonds2

About (Z,3E)-3-methoxy-3-(2-methylidene-1H-pyrrol-3-ylidene)prop-1-en-1-amine

(Z,3E)-3-methoxy-3-(2-methylidene-1H-pyrrol-3-ylidene)prop-1-en-1-amine (PubChem CID 89146393) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is (Z,3E)-3-methoxy-3-(2-methylidene-1H-pyrrol-3-ylidene)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z,3E)-3-methoxy-3-(2-methylidene-1H-pyrrol-3-ylidene)prop-1-en-1-amine
PubChem CID89146393
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name(Z,3E)-3-methoxy-3-(2-methylidene-1H-pyrrol-3-ylidene)prop-1-en-1-amine
SMILESC=c1[nH]cc/c1=C(/C=C\N)OC
InChIInChI=1S/C9H12N2O/c1-7-8(4-6-11-7)9(12-2)3-5-10/h3-6,11H,1,10H2,2H3/b5-3-,9-8+
InChIKeyNAZDTPKTOFOGKL-LPUZXQLSSA-N
XLogP-0.35
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z,3E)-3-methoxy-3-(2-methylidene-1H-pyrrol-3-ylidene)prop-1-en-1-amine?
The IUPAC name of (Z,3E)-3-methoxy-3-(2-methylidene-1H-pyrrol-3-ylidene)prop-1-en-1-amine (CID 89146393) is (Z,3E)-3-methoxy-3-(2-methylidene-1H-pyrrol-3-ylidene)prop-1-en-1-amine.
What is the SMILES notation for (Z,3E)-3-methoxy-3-(2-methylidene-1H-pyrrol-3-ylidene)prop-1-en-1-amine?
The canonical SMILES for (Z,3E)-3-methoxy-3-(2-methylidene-1H-pyrrol-3-ylidene)prop-1-en-1-amine is C=c1[nH]cc/c1=C(/C=C\N)OC.
What is the InChIKey of (Z,3E)-3-methoxy-3-(2-methylidene-1H-pyrrol-3-ylidene)prop-1-en-1-amine?
The InChIKey is NAZDTPKTOFOGKL-LPUZXQLSSA-N. The full InChI is InChI=1S/C9H12N2O/c1-7-8(4-6-11-7)9(12-2)3-5-10/h3-6,11H,1,10H2,2H3/b5-3-,9-8+.
What are the key properties of (Z,3E)-3-methoxy-3-(2-methylidene-1H-pyrrol-3-ylidene)prop-1-en-1-amine?
(Z,3E)-3-methoxy-3-(2-methylidene-1H-pyrrol-3-ylidene)prop-1-en-1-amine has a molecular weight of 164.21 g/mol, XLogP of -0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3E)-3-methoxy-3-(2-methylidene-1H-pyrrol-3-ylidene)prop-1-en-1-amine is sourced from PubChem (CID 89146393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).