(3Z)-3-[(Z)-but-2-enylidene]-4-ethenyl-2-methylidene-5-[(Z)-prop-1-enyl]pyrrol-1-amine

C14H18N2 — CID 146266462

IUPAC(3Z)-3-[(Z)-but-2-enylidene]-4-ethenyl-2-methylidene-5-[(Z)-prop-1-enyl]pyrrol-1-amine
SMILESC=Cc1c(/C=C\C)n(N)c(=C)/c1=C\C=C/C
InChIInChI=1S/C14H18N2/c1-5-8-10-13-11(4)16(15)14(9-6-2)12(13)7-3/h5-10H,3-4,15H2,1-2H3/b8-5-,9-6-,13-10+
InChIKeyXSNGEJLLRDCHFU-JGWKWCOBSA-N
MW214.31 g/mol
LogP1.64
Rot. Bonds3

About (3Z)-3-[(Z)-but-2-enylidene]-4-ethenyl-2-methylidene-5-[(Z)-prop-1-enyl]pyrrol-1-amine

(3Z)-3-[(Z)-but-2-enylidene]-4-ethenyl-2-methylidene-5-[(Z)-prop-1-enyl]pyrrol-1-amine (PubChem CID 146266462) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (3Z)-3-[(Z)-but-2-enylidene]-4-ethenyl-2-methylidene-5-[(Z)-prop-1-enyl]pyrrol-1-amine.

Molecular Properties

Compound Name(3Z)-3-[(Z)-but-2-enylidene]-4-ethenyl-2-methylidene-5-[(Z)-prop-1-enyl]pyrrol-1-amine
PubChem CID146266462
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name(3Z)-3-[(Z)-but-2-enylidene]-4-ethenyl-2-methylidene-5-[(Z)-prop-1-enyl]pyrrol-1-amine
SMILESC=Cc1c(/C=C\C)n(N)c(=C)/c1=C\C=C/C
InChIInChI=1S/C14H18N2/c1-5-8-10-13-11(4)16(15)14(9-6-2)12(13)7-3/h5-10H,3-4,15H2,1-2H3/b8-5-,9-6-,13-10+
InChIKeyXSNGEJLLRDCHFU-JGWKWCOBSA-N
XLogP1.64
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(Z)-but-2-enylidene]-4-ethenyl-2-methylidene-5-[(Z)-prop-1-enyl]pyrrol-1-amine?
The IUPAC name of (3Z)-3-[(Z)-but-2-enylidene]-4-ethenyl-2-methylidene-5-[(Z)-prop-1-enyl]pyrrol-1-amine (CID 146266462) is (3Z)-3-[(Z)-but-2-enylidene]-4-ethenyl-2-methylidene-5-[(Z)-prop-1-enyl]pyrrol-1-amine.
What is the SMILES notation for (3Z)-3-[(Z)-but-2-enylidene]-4-ethenyl-2-methylidene-5-[(Z)-prop-1-enyl]pyrrol-1-amine?
The canonical SMILES for (3Z)-3-[(Z)-but-2-enylidene]-4-ethenyl-2-methylidene-5-[(Z)-prop-1-enyl]pyrrol-1-amine is C=Cc1c(/C=C\C)n(N)c(=C)/c1=C\C=C/C.
What is the InChIKey of (3Z)-3-[(Z)-but-2-enylidene]-4-ethenyl-2-methylidene-5-[(Z)-prop-1-enyl]pyrrol-1-amine?
The InChIKey is XSNGEJLLRDCHFU-JGWKWCOBSA-N. The full InChI is InChI=1S/C14H18N2/c1-5-8-10-13-11(4)16(15)14(9-6-2)12(13)7-3/h5-10H,3-4,15H2,1-2H3/b8-5-,9-6-,13-10+.
What are the key properties of (3Z)-3-[(Z)-but-2-enylidene]-4-ethenyl-2-methylidene-5-[(Z)-prop-1-enyl]pyrrol-1-amine?
(3Z)-3-[(Z)-but-2-enylidene]-4-ethenyl-2-methylidene-5-[(Z)-prop-1-enyl]pyrrol-1-amine has a molecular weight of 214.31 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(Z)-but-2-enylidene]-4-ethenyl-2-methylidene-5-[(Z)-prop-1-enyl]pyrrol-1-amine is sourced from PubChem (CID 146266462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).