1-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]cyclopropane-1-carboxylic acid

C18H17NO2 — CID 82039142

IUPAC1-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(-c3ccc4c(c3)CCN4)cc2)CC1
InChIInChI=1S/C18H17NO2/c20-17(21)18(8-9-18)15-4-1-12(2-5-15)13-3-6-16-14(11-13)7-10-19-16/h1-6,11,19H,7-10H2,(H,20,21)
InChIKeyNQEWCPACACGIAZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.44
Rot. Bonds3

About 1-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]cyclopropane-1-carboxylic acid

1-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]cyclopropane-1-carboxylic acid (PubChem CID 82039142) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]cyclopropane-1-carboxylic acid
PubChem CID82039142
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name1-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(-c3ccc4c(c3)CCN4)cc2)CC1
InChIInChI=1S/C18H17NO2/c20-17(21)18(8-9-18)15-4-1-12(2-5-15)13-3-6-16-14(11-13)7-10-19-16/h1-6,11,19H,7-10H2,(H,20,21)
InChIKeyNQEWCPACACGIAZ-UHFFFAOYSA-N
XLogP3.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-indol-5-yl)benzoic acid
CID 82039135
2-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]acetic acid
CID 82039136
5-(5,6,7,8-tetrahydronaphthalen-2-yl)-2,3-dihydro-1H-indole
CID 63424177
1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 170999934
1-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]-1,3-diazinane-2,4-dione
CID 167776784
1-[3-(4-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid
CID 83549723
1-[4-(3-nitrophenyl)phenyl]cyclopropane-1-carboxylic acid
CID 82039214
1-[4-[3-(dimethylamino)phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 39226104
N-(2,3-dihydro-1H-indol-5-yl)-1-methylcyclopropane-1-carboxamide
CID 119473770
N-(2,3-dihydro-1H-indol-5-yl)-2-phenylacetamide
CID 63252775
5-(2,3-dihydro-1H-indol-5-yl)-3-phenyl-1,2,4-oxadiazole
CID 43325507
5-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydro-1H-indole
CID 63424136

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]cyclopropane-1-carboxylic acid (CID 82039142) is 1-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]cyclopropane-1-carboxylic acid is O=C(O)C1(c2ccc(-c3ccc4c(c3)CCN4)cc2)CC1.
What is the InChIKey of 1-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is NQEWCPACACGIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c20-17(21)18(8-9-18)15-4-1-12(2-5-15)13-3-6-16-14(11-13)7-10-19-16/h1-6,11,19H,7-10H2,(H,20,21).
What are the key properties of 1-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]cyclopropane-1-carboxylic acid?
1-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 82039142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).