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Ethane;2-[(4Z,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]acetonitrile

C13H18N2 — CID 142993803

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACethane;2-[(4Z,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]acetonitrile
SMILESC=C/C=c1/c(CC#N)c[nH]/c1=C/C.CC
InChIInChI=1S/C11H12N2.C2H6/c1-3-5-10-9(6-7-12)8-13-11(10)4-2;1-2/h3-5,8,13H,1,6H2,2H3;1-2H3/b10-5-,11-4+;
InChIKeyOTZMAMCYGWIBTG-VUAPZAPOSA-N
MW202.30 g/mol
LogP1.87
Rot. Bonds2

About Ethane;2-[(4Z,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]acetonitrile

Ethane;2-[(4Z,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]acetonitrile (PubChem CID 142993803) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is ethane;2-[(4Z,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]acetonitrile.

Molecular Properties

Compound NameEthane;2-[(4Z,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]acetonitrile
PubChem CID142993803
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Nameethane;2-[(4Z,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]acetonitrile
SMILESC=C/C=c1/c(CC#N)c[nH]/c1=C/C.CC
InChIInChI=1S/C11H12N2.C2H6/c1-3-5-10-9(6-7-12)8-13-11(10)4-2;1-2/h3-5,8,13H,1,6H2,2H3;1-2H3/b10-5-,11-4+;
InChIKeyOTZMAMCYGWIBTG-VUAPZAPOSA-N
XLogP1.87
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of Ethane;2-[(4Z,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]acetonitrile?
The IUPAC name of Ethane;2-[(4Z,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]acetonitrile (CID 142993803) is ethane;2-[(4Z,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]acetonitrile.
What is the SMILES notation for Ethane;2-[(4Z,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]acetonitrile?
The canonical SMILES for Ethane;2-[(4Z,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]acetonitrile is C=C/C=c1/c(CC#N)c[nH]/c1=C/C.CC.
What is the InChIKey of Ethane;2-[(4Z,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]acetonitrile?
The InChIKey is OTZMAMCYGWIBTG-VUAPZAPOSA-N. The full InChI is InChI=1S/C11H12N2.C2H6/c1-3-5-10-9(6-7-12)8-13-11(10)4-2;1-2/h3-5,8,13H,1,6H2,2H3;1-2H3/b10-5-,11-4+;.
What are the key properties of Ethane;2-[(4Z,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]acetonitrile?
Ethane;2-[(4Z,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]acetonitrile has a molecular weight of 202.30 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Ethane;2-[(4Z,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]acetonitrile is sourced from PubChem (CID 142993803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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