(Z)-2-(4-ethenyl-1-methyl-2,3-dihydropyrrol-5-yl)ethenamine

C9H14N2 — CID 89012398

IUPAC(Z)-2-(4-ethenyl-1-methyl-2,3-dihydropyrrol-5-yl)ethenamine
SMILESC=CC1=C(/C=C\N)N(C)CC1
InChIInChI=1S/C9H14N2/c1-3-8-5-7-11(2)9(8)4-6-10/h3-4,6H,1,5,7,10H2,2H3/b6-4-
InChIKeyCZPLULAHGRAJNO-XQRVVYSFSA-N
MW150.22 g/mol
LogP1.23
Rot. Bonds2

About (Z)-2-(4-ethenyl-1-methyl-2,3-dihydropyrrol-5-yl)ethenamine

(Z)-2-(4-ethenyl-1-methyl-2,3-dihydropyrrol-5-yl)ethenamine (PubChem CID 89012398) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (Z)-2-(4-ethenyl-1-methyl-2,3-dihydropyrrol-5-yl)ethenamine.

Molecular Properties

Compound Name(Z)-2-(4-ethenyl-1-methyl-2,3-dihydropyrrol-5-yl)ethenamine
PubChem CID89012398
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(Z)-2-(4-ethenyl-1-methyl-2,3-dihydropyrrol-5-yl)ethenamine
SMILESC=CC1=C(/C=C\N)N(C)CC1
InChIInChI=1S/C9H14N2/c1-3-8-5-7-11(2)9(8)4-6-10/h3-4,6H,1,5,7,10H2,2H3/b6-4-
InChIKeyCZPLULAHGRAJNO-XQRVVYSFSA-N
XLogP1.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-ethenyl-1-methyl-2,3-dihydropyrrol-5-yl)ethenamine?
The IUPAC name of (Z)-2-(4-ethenyl-1-methyl-2,3-dihydropyrrol-5-yl)ethenamine (CID 89012398) is (Z)-2-(4-ethenyl-1-methyl-2,3-dihydropyrrol-5-yl)ethenamine.
What is the SMILES notation for (Z)-2-(4-ethenyl-1-methyl-2,3-dihydropyrrol-5-yl)ethenamine?
The canonical SMILES for (Z)-2-(4-ethenyl-1-methyl-2,3-dihydropyrrol-5-yl)ethenamine is C=CC1=C(/C=C\N)N(C)CC1.
What is the InChIKey of (Z)-2-(4-ethenyl-1-methyl-2,3-dihydropyrrol-5-yl)ethenamine?
The InChIKey is CZPLULAHGRAJNO-XQRVVYSFSA-N. The full InChI is InChI=1S/C9H14N2/c1-3-8-5-7-11(2)9(8)4-6-10/h3-4,6H,1,5,7,10H2,2H3/b6-4-.
What are the key properties of (Z)-2-(4-ethenyl-1-methyl-2,3-dihydropyrrol-5-yl)ethenamine?
(Z)-2-(4-ethenyl-1-methyl-2,3-dihydropyrrol-5-yl)ethenamine has a molecular weight of 150.22 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-ethenyl-1-methyl-2,3-dihydropyrrol-5-yl)ethenamine is sourced from PubChem (CID 89012398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).