2-(4-methyl-1-propan-2-ylindol-2-yl)acetaldehyde

C14H17NO — CID 117194359

IUPAC2-(4-methyl-1-propan-2-ylindol-2-yl)acetaldehyde
SMILESCc1cccc2c1cc(CC=O)n2C(C)C
InChIInChI=1S/C14H17NO/c1-10(2)15-12(7-8-16)9-13-11(3)5-4-6-14(13)15/h4-6,8-10H,7H2,1-3H3
InChIKeyBLFMUNQBKQQXCX-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.27
Rot. Bonds3

About 2-(4-methyl-1-propan-2-ylindol-2-yl)acetaldehyde

2-(4-methyl-1-propan-2-ylindol-2-yl)acetaldehyde (PubChem CID 117194359) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(4-methyl-1-propan-2-ylindol-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4-methyl-1-propan-2-ylindol-2-yl)acetaldehyde
PubChem CID117194359
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2-(4-methyl-1-propan-2-ylindol-2-yl)acetaldehyde
SMILESCc1cccc2c1cc(CC=O)n2C(C)C
InChIInChI=1S/C14H17NO/c1-10(2)15-12(7-8-16)9-13-11(3)5-4-6-14(13)15/h4-6,8-10H,7H2,1-3H3
InChIKeyBLFMUNQBKQQXCX-UHFFFAOYSA-N
XLogP3.27
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromo-1-propan-2-ylindol-2-yl)acetaldehyde
CID 117194499
2-(4-methoxy-1-propan-2-ylindol-2-yl)acetaldehyde
CID 117194619
2-[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]acetaldehyde
CID 117194285
2-(1,4-dimethylindol-2-yl)acetaldehyde
CID 117194342
O-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]hydroxylamine
CID 117194362
3-(4-methyl-1-propan-2-ylindol-2-yl)propanoic acid
CID 117120379
2-methyl-1-(4-methyl-1-propan-2-ylindol-2-yl)propan-2-ol
CID 117120348
4-methyl-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole
CID 117184903
4-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]morpholine
CID 117184909
ethyl 5-methyl-2-oxo-1-propan-2-ylquinoline-3-carboxylate
CID 59822486
2-(7-methoxy-1-propan-2-ylindol-2-yl)acetaldehyde
CID 115006203
2-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine
CID 117173824

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1-propan-2-ylindol-2-yl)acetaldehyde?
The IUPAC name of 2-(4-methyl-1-propan-2-ylindol-2-yl)acetaldehyde (CID 117194359) is 2-(4-methyl-1-propan-2-ylindol-2-yl)acetaldehyde.
What is the SMILES notation for 2-(4-methyl-1-propan-2-ylindol-2-yl)acetaldehyde?
The canonical SMILES for 2-(4-methyl-1-propan-2-ylindol-2-yl)acetaldehyde is Cc1cccc2c1cc(CC=O)n2C(C)C.
What is the InChIKey of 2-(4-methyl-1-propan-2-ylindol-2-yl)acetaldehyde?
The InChIKey is BLFMUNQBKQQXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-10(2)15-12(7-8-16)9-13-11(3)5-4-6-14(13)15/h4-6,8-10H,7H2,1-3H3.
What are the key properties of 2-(4-methyl-1-propan-2-ylindol-2-yl)acetaldehyde?
2-(4-methyl-1-propan-2-ylindol-2-yl)acetaldehyde has a molecular weight of 215.30 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1-propan-2-ylindol-2-yl)acetaldehyde is sourced from PubChem (CID 117194359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).