1-(cyclobutylmethyl)-2,3-dihydroindole-7-carbaldehyde

C14H17NO — CID 115105685

IUPAC1-(cyclobutylmethyl)-2,3-dihydroindole-7-carbaldehyde
SMILESO=Cc1cccc2c1N(CC1CCC1)CC2
InChIInChI=1S/C14H17NO/c16-10-13-6-2-5-12-7-8-15(14(12)13)9-11-3-1-4-11/h2,5-6,10-11H,1,3-4,7-9H2
InChIKeyWFPWLWNAISIDLD-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.66
Rot. Bonds3

About 1-(cyclobutylmethyl)-2,3-dihydroindole-7-carbaldehyde

1-(cyclobutylmethyl)-2,3-dihydroindole-7-carbaldehyde (PubChem CID 115105685) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-2,3-dihydroindole-7-carbaldehyde.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-2,3-dihydroindole-7-carbaldehyde
PubChem CID115105685
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-(cyclobutylmethyl)-2,3-dihydroindole-7-carbaldehyde
SMILESO=Cc1cccc2c1N(CC1CCC1)CC2
InChIInChI=1S/C14H17NO/c16-10-13-6-2-5-12-7-8-15(14(12)13)9-11-3-1-4-11/h2,5-6,10-11H,1,3-4,7-9H2
InChIKeyWFPWLWNAISIDLD-UHFFFAOYSA-N
XLogP2.66
TPSA20.31 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 ≤ 52.66
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

[1-(cyclobutylmethyl)-2,3-dihydroindol-7-yl]methanamine
CID 115105607
2-[1-(cyclobutylmethyl)-2,3-dihydroindol-7-yl]propan-2-amine
CID 117118853
1-[1-(cyclobutylmethyl)-2,3-dihydroindol-7-yl]ethanamine
CID 115105609
[1-(cyclopropylmethyl)-2,3-dihydroindol-7-yl]methanamine
CID 115105603
1-(cyclopropylmethyl)-2,3-dihydroindole-6-carbaldehyde
CID 115105849
8-bromo-1-(cyclopropylmethyl)-3,4-dihydro-2H-quinoline
CID 84738520
1-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-7-yl]ethanone
CID 115105692
3-[1-(cyclopropylmethyl)-2,3-dihydroindol-7-yl]-2-methylpropanoic acid
CID 115105719
1-(cyclopentylmethyl)-3,4-dihydro-2H-quinoline
CID 82078705
2-(cyclopropylmethyl)-3,4-dihydroisoquinolin-1-one
CID 70927083
3-[4-[[1-(cyclopropylmethyl)-2,3-dihydroindol-7-yl]methoxy]-2-fluorophenyl]propanal
CID 89063108
8-fluoro-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline
CID 119929966

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-2,3-dihydroindole-7-carbaldehyde?
The IUPAC name of 1-(cyclobutylmethyl)-2,3-dihydroindole-7-carbaldehyde (CID 115105685) is 1-(cyclobutylmethyl)-2,3-dihydroindole-7-carbaldehyde.
What is the SMILES notation for 1-(cyclobutylmethyl)-2,3-dihydroindole-7-carbaldehyde?
The canonical SMILES for 1-(cyclobutylmethyl)-2,3-dihydroindole-7-carbaldehyde is O=Cc1cccc2c1N(CC1CCC1)CC2.
What is the InChIKey of 1-(cyclobutylmethyl)-2,3-dihydroindole-7-carbaldehyde?
The InChIKey is WFPWLWNAISIDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c16-10-13-6-2-5-12-7-8-15(14(12)13)9-11-3-1-4-11/h2,5-6,10-11H,1,3-4,7-9H2.
What are the key properties of 1-(cyclobutylmethyl)-2,3-dihydroindole-7-carbaldehyde?
1-(cyclobutylmethyl)-2,3-dihydroindole-7-carbaldehyde has a molecular weight of 215.30 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-2,3-dihydroindole-7-carbaldehyde is sourced from PubChem (CID 115105685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).