(Z)-N-methyl-N'-[1-(1H-pyrrol-2-yl)ethenyl]ethene-1,2-diamine

C9H13N3 — CID 89221455

IUPAC(Z)-N-methyl-N'-[1-(1H-pyrrol-2-yl)ethenyl]ethene-1,2-diamine
SMILESC=C(N/C=C\NC)c1ccc[nH]1
InChIInChI=1S/C9H13N3/c1-8(11-7-6-10-2)9-4-3-5-12-9/h3-7,10-12H,1H2,2H3/b7-6-
InChIKeyQUFFHZHNJVIOIX-SREVYHEPSA-N
MW163.22 g/mol
LogP1.27
Rot. Bonds4

About (Z)-N-methyl-N'-[1-(1H-pyrrol-2-yl)ethenyl]ethene-1,2-diamine

(Z)-N-methyl-N'-[1-(1H-pyrrol-2-yl)ethenyl]ethene-1,2-diamine (PubChem CID 89221455) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is (Z)-N-methyl-N'-[1-(1H-pyrrol-2-yl)ethenyl]ethene-1,2-diamine.

Molecular Properties

Compound Name(Z)-N-methyl-N'-[1-(1H-pyrrol-2-yl)ethenyl]ethene-1,2-diamine
PubChem CID89221455
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name(Z)-N-methyl-N'-[1-(1H-pyrrol-2-yl)ethenyl]ethene-1,2-diamine
SMILESC=C(N/C=C\NC)c1ccc[nH]1
InChIInChI=1S/C9H13N3/c1-8(11-7-6-10-2)9-4-3-5-12-9/h3-7,10-12H,1H2,2H3/b7-6-
InChIKeyQUFFHZHNJVIOIX-SREVYHEPSA-N
XLogP1.27
TPSA39.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-N'-[1-(1H-pyrrol-2-yl)ethenyl]ethene-1,2-diamine?
The IUPAC name of (Z)-N-methyl-N'-[1-(1H-pyrrol-2-yl)ethenyl]ethene-1,2-diamine (CID 89221455) is (Z)-N-methyl-N'-[1-(1H-pyrrol-2-yl)ethenyl]ethene-1,2-diamine.
What is the SMILES notation for (Z)-N-methyl-N'-[1-(1H-pyrrol-2-yl)ethenyl]ethene-1,2-diamine?
The canonical SMILES for (Z)-N-methyl-N'-[1-(1H-pyrrol-2-yl)ethenyl]ethene-1,2-diamine is C=C(N/C=C\NC)c1ccc[nH]1.
What is the InChIKey of (Z)-N-methyl-N'-[1-(1H-pyrrol-2-yl)ethenyl]ethene-1,2-diamine?
The InChIKey is QUFFHZHNJVIOIX-SREVYHEPSA-N. The full InChI is InChI=1S/C9H13N3/c1-8(11-7-6-10-2)9-4-3-5-12-9/h3-7,10-12H,1H2,2H3/b7-6-.
What are the key properties of (Z)-N-methyl-N'-[1-(1H-pyrrol-2-yl)ethenyl]ethene-1,2-diamine?
(Z)-N-methyl-N'-[1-(1H-pyrrol-2-yl)ethenyl]ethene-1,2-diamine has a molecular weight of 163.22 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-N'-[1-(1H-pyrrol-2-yl)ethenyl]ethene-1,2-diamine is sourced from PubChem (CID 89221455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).