(2Z)-2-(5-chloro-3,3-diethyl-1-methylindol-2-ylidene)acetaldehyde

C15H18ClNO — CID 88841923

IUPAC(2Z)-2-(5-chloro-3,3-diethyl-1-methylindol-2-ylidene)acetaldehyde
SMILESCCC1(CC)/C(=C/C=O)N(C)c2ccc(Cl)cc21
InChIInChI=1S/C15H18ClNO/c1-4-15(5-2)12-10-11(16)6-7-13(12)17(3)14(15)8-9-18/h6-10H,4-5H2,1-3H3/b14-8-
InChIKeyAUZVDSTZNZGIER-ZSOIEALJSA-N
MW263.77 g/mol
LogP3.93
Rot. Bonds3

About (2Z)-2-(5-chloro-3,3-diethyl-1-methylindol-2-ylidene)acetaldehyde

(2Z)-2-(5-chloro-3,3-diethyl-1-methylindol-2-ylidene)acetaldehyde (PubChem CID 88841923) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is (2Z)-2-(5-chloro-3,3-diethyl-1-methylindol-2-ylidene)acetaldehyde.

Molecular Properties

Compound Name(2Z)-2-(5-chloro-3,3-diethyl-1-methylindol-2-ylidene)acetaldehyde
PubChem CID88841923
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name(2Z)-2-(5-chloro-3,3-diethyl-1-methylindol-2-ylidene)acetaldehyde
SMILESCCC1(CC)/C(=C/C=O)N(C)c2ccc(Cl)cc21
InChIInChI=1S/C15H18ClNO/c1-4-15(5-2)12-10-11(16)6-7-13(12)17(3)14(15)8-9-18/h6-10H,4-5H2,1-3H3/b14-8-
InChIKeyAUZVDSTZNZGIER-ZSOIEALJSA-N
XLogP3.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2Z)-2-(5-chloro-3,3-diethyl-1-methylindol-2-ylidene)acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(5-chloro-3,3-diethyl-1-methylindol-2-ylidene)acetaldehyde?
The IUPAC name of (2Z)-2-(5-chloro-3,3-diethyl-1-methylindol-2-ylidene)acetaldehyde (CID 88841923) is (2Z)-2-(5-chloro-3,3-diethyl-1-methylindol-2-ylidene)acetaldehyde.
What is the SMILES notation for (2Z)-2-(5-chloro-3,3-diethyl-1-methylindol-2-ylidene)acetaldehyde?
The canonical SMILES for (2Z)-2-(5-chloro-3,3-diethyl-1-methylindol-2-ylidene)acetaldehyde is CCC1(CC)/C(=C/C=O)N(C)c2ccc(Cl)cc21.
What is the InChIKey of (2Z)-2-(5-chloro-3,3-diethyl-1-methylindol-2-ylidene)acetaldehyde?
The InChIKey is AUZVDSTZNZGIER-ZSOIEALJSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-4-15(5-2)12-10-11(16)6-7-13(12)17(3)14(15)8-9-18/h6-10H,4-5H2,1-3H3/b14-8-.
What are the key properties of (2Z)-2-(5-chloro-3,3-diethyl-1-methylindol-2-ylidene)acetaldehyde?
(2Z)-2-(5-chloro-3,3-diethyl-1-methylindol-2-ylidene)acetaldehyde has a molecular weight of 263.77 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(5-chloro-3,3-diethyl-1-methylindol-2-ylidene)acetaldehyde is sourced from PubChem (CID 88841923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).