(2R)-1-propyl-2,3-dihydroindole-2-carbaldehyde

C12H15NO — CID 99982020

IUPAC(2R)-1-propyl-2,3-dihydroindole-2-carbaldehyde
SMILESCCCN1c2ccccc2C[C@@H]1C=O
InChIInChI=1S/C12H15NO/c1-2-7-13-11(9-14)8-10-5-3-4-6-12(10)13/h3-6,9,11H,2,7-8H2,1H3/t11-/m1/s1
InChIKeySMRPRMBPNUAZGI-LLVKDONJSA-N
MW189.26 g/mol
LogP2.03
Rot. Bonds3

About (2R)-1-propyl-2,3-dihydroindole-2-carbaldehyde

(2R)-1-propyl-2,3-dihydroindole-2-carbaldehyde (PubChem CID 99982020) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (2R)-1-propyl-2,3-dihydroindole-2-carbaldehyde.

Molecular Properties

Compound Name(2R)-1-propyl-2,3-dihydroindole-2-carbaldehyde
PubChem CID99982020
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(2R)-1-propyl-2,3-dihydroindole-2-carbaldehyde
SMILESCCCN1c2ccccc2C[C@@H]1C=O
InChIInChI=1S/C12H15NO/c1-2-7-13-11(9-14)8-10-5-3-4-6-12(10)13/h3-6,9,11H,2,7-8H2,1H3/t11-/m1/s1
InChIKeySMRPRMBPNUAZGI-LLVKDONJSA-N
XLogP2.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.03
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-propyl-2,3-dihydroindole-2-carbaldehyde
CID 102567896
1-(2-bromoethyl)-2,3-dihydroindole-2-carbaldehyde
CID 86273196
(2S)-1-benzyl-2,3-dihydroindole-2-carbaldehyde
CID 59912246
1-(cyclopropylmethyl)-2,3-dihydroindole-2-carbaldehyde
CID 115106309
1-(1-propyl-2,3-dihydroindol-2-yl)ethanone
CID 115106307
1-propyl-2,3-dihydroindole-2-carboxylic acid
CID 80566723
2-methyl-3-(1-propyl-2,3-dihydroindol-2-yl)propanoic acid
CID 115106336
2-(1-ethyl-2,3-dihydroindol-2-yl)acetic acid
CID 115106317
3-methyl-2-phenyl-1-propyl-2,4-dihydroquinazoline
CID 132540177
4-(2-methyl-2,3-dihydroindol-1-yl)-N-propylbutan-1-amine
CID 55070127
(2S)-1-ethyl-2-(methoxymethyl)-2,3-dihydroindole
CID 58740920
2-cyclopropyl-1-hexyl-2,3-dihydroindole
CID 11096828

Frequently Asked Questions

What is the IUPAC name of (2R)-1-propyl-2,3-dihydroindole-2-carbaldehyde?
The IUPAC name of (2R)-1-propyl-2,3-dihydroindole-2-carbaldehyde (CID 99982020) is (2R)-1-propyl-2,3-dihydroindole-2-carbaldehyde.
What is the SMILES notation for (2R)-1-propyl-2,3-dihydroindole-2-carbaldehyde?
The canonical SMILES for (2R)-1-propyl-2,3-dihydroindole-2-carbaldehyde is CCCN1c2ccccc2C[C@@H]1C=O.
What is the InChIKey of (2R)-1-propyl-2,3-dihydroindole-2-carbaldehyde?
The InChIKey is SMRPRMBPNUAZGI-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-7-13-11(9-14)8-10-5-3-4-6-12(10)13/h3-6,9,11H,2,7-8H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-1-propyl-2,3-dihydroindole-2-carbaldehyde?
(2R)-1-propyl-2,3-dihydroindole-2-carbaldehyde has a molecular weight of 189.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-propyl-2,3-dihydroindole-2-carbaldehyde is sourced from PubChem (CID 99982020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).