(2Z)-4,4-dimethyl-2-(1H-pyrrol-2-ylmethylidene)-3H-pyrrole-5-carbaldehyde

C12H14N2O — CID 134275576

IUPAC(2Z)-4,4-dimethyl-2-(1H-pyrrol-2-ylmethylidene)-3H-pyrrole-5-carbaldehyde
SMILESCC1(C)C/C(=C/c2ccc[nH]2)N=C1C=O
InChIInChI=1S/C12H14N2O/c1-12(2)7-10(14-11(12)8-15)6-9-4-3-5-13-9/h3-6,8,13H,7H2,1-2H3/b10-6-
InChIKeyXCGXWWAEKUMVCW-POHAHGRESA-N
MW202.26 g/mol
LogP2.43
Rot. Bonds2

About (2Z)-4,4-dimethyl-2-(1H-pyrrol-2-ylmethylidene)-3H-pyrrole-5-carbaldehyde

(2Z)-4,4-dimethyl-2-(1H-pyrrol-2-ylmethylidene)-3H-pyrrole-5-carbaldehyde (PubChem CID 134275576) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is (2Z)-4,4-dimethyl-2-(1H-pyrrol-2-ylmethylidene)-3H-pyrrole-5-carbaldehyde.

Molecular Properties

Compound Name(2Z)-4,4-dimethyl-2-(1H-pyrrol-2-ylmethylidene)-3H-pyrrole-5-carbaldehyde
PubChem CID134275576
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name(2Z)-4,4-dimethyl-2-(1H-pyrrol-2-ylmethylidene)-3H-pyrrole-5-carbaldehyde
SMILESCC1(C)C/C(=C/c2ccc[nH]2)N=C1C=O
InChIInChI=1S/C12H14N2O/c1-12(2)7-10(14-11(12)8-15)6-9-4-3-5-13-9/h3-6,8,13H,7H2,1-2H3/b10-6-
InChIKeyXCGXWWAEKUMVCW-POHAHGRESA-N
XLogP2.43
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2Z)-4,4,5-trimethyl-2-(1H-pyrrol-2-ylmethylidene)-3H-pyrrole
CID 134275552
methanamine;1H-pyrrole-2-carbaldehyde
CID 172737516
molecular hydrogen;1H-pyrrole-2-carbaldehyde
CID 142199801
ethoxyethane;1H-pyrrole-2-carbaldehyde
CID 174491335
2-[2-(1H-pyrrol-2-yl)ethenyl]-1H-pyrrole
CID 67418156
(4E)-4-(1H-pyrrol-2-ylmethylidene)-3-(2,2,3,3-tetramethylcyclopropyl)-1H-pyrazol-5-one
CID 135723926
1-chloro-2-methoxyethane;1H-pyrrole-2-carbaldehyde
CID 160756394
2-(4-tert-butylphenyl)-4-(1H-pyrrol-2-ylmethylidene)-1H-imidazol-5-one
CID 163232697
dimethyl(1H-pyrrol-2-ylmethylidene)azanium
CID 12676266
(2E,4Z)-8-methyl-2,4-bis(1H-pyrrol-2-ylmethylidene)-8-azabicyclo[3.2.1]octan-3-one
CID 6166701
5-[(Z)-(3,3-dimethyl-5-oxopyrrolidin-2-ylidene)methyl]-4,4-dimethyl-3H-pyrrol-2-one
CID 6914083
2-[(Z)-2-methylsulfonylethenyl]-1H-pyrrole
CID 92857176

Frequently Asked Questions

What is the IUPAC name of (2Z)-4,4-dimethyl-2-(1H-pyrrol-2-ylmethylidene)-3H-pyrrole-5-carbaldehyde?
The IUPAC name of (2Z)-4,4-dimethyl-2-(1H-pyrrol-2-ylmethylidene)-3H-pyrrole-5-carbaldehyde (CID 134275576) is (2Z)-4,4-dimethyl-2-(1H-pyrrol-2-ylmethylidene)-3H-pyrrole-5-carbaldehyde.
What is the SMILES notation for (2Z)-4,4-dimethyl-2-(1H-pyrrol-2-ylmethylidene)-3H-pyrrole-5-carbaldehyde?
The canonical SMILES for (2Z)-4,4-dimethyl-2-(1H-pyrrol-2-ylmethylidene)-3H-pyrrole-5-carbaldehyde is CC1(C)C/C(=C/c2ccc[nH]2)N=C1C=O.
What is the InChIKey of (2Z)-4,4-dimethyl-2-(1H-pyrrol-2-ylmethylidene)-3H-pyrrole-5-carbaldehyde?
The InChIKey is XCGXWWAEKUMVCW-POHAHGRESA-N. The full InChI is InChI=1S/C12H14N2O/c1-12(2)7-10(14-11(12)8-15)6-9-4-3-5-13-9/h3-6,8,13H,7H2,1-2H3/b10-6-.
What are the key properties of (2Z)-4,4-dimethyl-2-(1H-pyrrol-2-ylmethylidene)-3H-pyrrole-5-carbaldehyde?
(2Z)-4,4-dimethyl-2-(1H-pyrrol-2-ylmethylidene)-3H-pyrrole-5-carbaldehyde has a molecular weight of 202.26 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4,4-dimethyl-2-(1H-pyrrol-2-ylmethylidene)-3H-pyrrole-5-carbaldehyde is sourced from PubChem (CID 134275576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).