(3Z)-3-ethylidene-2-methylidene-1H-pyrrole

C7H9N — CID 144858732

IUPAC(3Z)-3-ethylidene-2-methylidene-1H-pyrrole
SMILESC=c1[nH]cc/c1=C/C
InChIInChI=1S/C7H9N/c1-3-7-4-5-8-6(7)2/h3-5,8H,2H2,1H3/b7-3-
InChIKeyXBVWMODHEUBACR-CLTKARDFSA-N
MW107.16 g/mol
LogP0.23
Rot. Bonds

About (3Z)-3-ethylidene-2-methylidene-1H-pyrrole

(3Z)-3-ethylidene-2-methylidene-1H-pyrrole (PubChem CID 144858732) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is (3Z)-3-ethylidene-2-methylidene-1H-pyrrole.

Molecular Properties

Compound Name(3Z)-3-ethylidene-2-methylidene-1H-pyrrole
PubChem CID144858732
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC Name(3Z)-3-ethylidene-2-methylidene-1H-pyrrole
SMILESC=c1[nH]cc/c1=C/C
InChIInChI=1S/C7H9N/c1-3-7-4-5-8-6(7)2/h3-5,8H,2H2,1H3/b7-3-
InChIKeyXBVWMODHEUBACR-CLTKARDFSA-N
XLogP0.23
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

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6-(3-ethylidene-1H-pyrrol-2-ylidene)-5-methylhex-4-en-3-ol
CID 90833187
(2E)-N-methyl-2-(3-methylidene-1H-pyrrol-2-ylidene)ethanimine
CID 143196621
(2E,3Z)-3-but-3-en-2-ylidene-2-ethylidene-1H-pyrrole
CID 143255275
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2-[3-[(3E)-3-[(3Z)-3-ethylidene-1H-pyrrol-2-ylidene]prop-1-en-2-yl]-1,2,4-oxadiazol-5-yl]ethanol
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3-ethylidene-5-(furan-3-yl)-2-methylidene-1H-pyrrole
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3-ethenyl-2-propyl-1H-pyrrole
CID 143902050
(4Z)-4-ethylidene-16-methylidenepentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2(7),3(17),5,8,11,13(18),14-octaene
CID 153137523
[3-[(E,1Z)-1-(2-methylidene-1H-pyrrol-3-ylidene)but-2-en-2-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite
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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethylidene-2-methylidene-1H-pyrrole?
The IUPAC name of (3Z)-3-ethylidene-2-methylidene-1H-pyrrole (CID 144858732) is (3Z)-3-ethylidene-2-methylidene-1H-pyrrole.
What is the SMILES notation for (3Z)-3-ethylidene-2-methylidene-1H-pyrrole?
The canonical SMILES for (3Z)-3-ethylidene-2-methylidene-1H-pyrrole is C=c1[nH]cc/c1=C/C.
What is the InChIKey of (3Z)-3-ethylidene-2-methylidene-1H-pyrrole?
The InChIKey is XBVWMODHEUBACR-CLTKARDFSA-N. The full InChI is InChI=1S/C7H9N/c1-3-7-4-5-8-6(7)2/h3-5,8H,2H2,1H3/b7-3-.
What are the key properties of (3Z)-3-ethylidene-2-methylidene-1H-pyrrole?
(3Z)-3-ethylidene-2-methylidene-1H-pyrrole has a molecular weight of 107.16 g/mol, XLogP of 0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-2-methylidene-1H-pyrrole is sourced from PubChem (CID 144858732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).