(2Z)-2-ethylidene-3-methyl-5-methylidene-1,4-bis(prop-1-en-2-yl)pyrrole

C14H19N — CID 139589189

IUPAC(2Z)-2-ethylidene-3-methyl-5-methylidene-1,4-bis(prop-1-en-2-yl)pyrrole
SMILESC=C(C)c1c(C)/c(=C/C)n(C(=C)C)c1=C
InChIInChI=1S/C14H19N/c1-8-13-11(6)14(9(2)3)12(7)15(13)10(4)5/h8H,2,4,7H2,1,3,5-6H3/b13-8-
InChIKeyDXDQPBOQGTZSTP-JYRVWZFOSA-N
MW201.31 g/mol
LogP2.53
Rot. Bonds2

About (2Z)-2-ethylidene-3-methyl-5-methylidene-1,4-bis(prop-1-en-2-yl)pyrrole

(2Z)-2-ethylidene-3-methyl-5-methylidene-1,4-bis(prop-1-en-2-yl)pyrrole (PubChem CID 139589189) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is (2Z)-2-ethylidene-3-methyl-5-methylidene-1,4-bis(prop-1-en-2-yl)pyrrole.

Molecular Properties

Compound Name(2Z)-2-ethylidene-3-methyl-5-methylidene-1,4-bis(prop-1-en-2-yl)pyrrole
PubChem CID139589189
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name(2Z)-2-ethylidene-3-methyl-5-methylidene-1,4-bis(prop-1-en-2-yl)pyrrole
SMILESC=C(C)c1c(C)/c(=C/C)n(C(=C)C)c1=C
InChIInChI=1S/C14H19N/c1-8-13-11(6)14(9(2)3)12(7)15(13)10(4)5/h8H,2,4,7H2,1,3,5-6H3/b13-8-
InChIKeyDXDQPBOQGTZSTP-JYRVWZFOSA-N
XLogP2.53
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-ethylidene-3-methyl-5-methylidene-1,4-bis(prop-1-en-2-yl)pyrrole?
The IUPAC name of (2Z)-2-ethylidene-3-methyl-5-methylidene-1,4-bis(prop-1-en-2-yl)pyrrole (CID 139589189) is (2Z)-2-ethylidene-3-methyl-5-methylidene-1,4-bis(prop-1-en-2-yl)pyrrole.
What is the SMILES notation for (2Z)-2-ethylidene-3-methyl-5-methylidene-1,4-bis(prop-1-en-2-yl)pyrrole?
The canonical SMILES for (2Z)-2-ethylidene-3-methyl-5-methylidene-1,4-bis(prop-1-en-2-yl)pyrrole is C=C(C)c1c(C)/c(=C/C)n(C(=C)C)c1=C.
What is the InChIKey of (2Z)-2-ethylidene-3-methyl-5-methylidene-1,4-bis(prop-1-en-2-yl)pyrrole?
The InChIKey is DXDQPBOQGTZSTP-JYRVWZFOSA-N. The full InChI is InChI=1S/C14H19N/c1-8-13-11(6)14(9(2)3)12(7)15(13)10(4)5/h8H,2,4,7H2,1,3,5-6H3/b13-8-.
What are the key properties of (2Z)-2-ethylidene-3-methyl-5-methylidene-1,4-bis(prop-1-en-2-yl)pyrrole?
(2Z)-2-ethylidene-3-methyl-5-methylidene-1,4-bis(prop-1-en-2-yl)pyrrole has a molecular weight of 201.31 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethylidene-3-methyl-5-methylidene-1,4-bis(prop-1-en-2-yl)pyrrole is sourced from PubChem (CID 139589189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).