5-chloro-2-(cyclopropylmethylamino)-1,3-dihydroindene-2-carboxylic acid

C14H16ClNO2 — CID 115349312

IUPAC5-chloro-2-(cyclopropylmethylamino)-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(O)C1(NCC2CC2)Cc2ccc(Cl)cc2C1
InChIInChI=1S/C14H16ClNO2/c15-12-4-3-10-6-14(13(17)18,7-11(10)5-12)16-8-9-1-2-9/h3-5,9,16H,1-2,6-8H2,(H,17,18)
InChIKeyOEJNDNSDUZIMHI-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.26
Rot. Bonds4

About 5-chloro-2-(cyclopropylmethylamino)-1,3-dihydroindene-2-carboxylic acid

5-chloro-2-(cyclopropylmethylamino)-1,3-dihydroindene-2-carboxylic acid (PubChem CID 115349312) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 5-chloro-2-(cyclopropylmethylamino)-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-(cyclopropylmethylamino)-1,3-dihydroindene-2-carboxylic acid
PubChem CID115349312
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name5-chloro-2-(cyclopropylmethylamino)-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(O)C1(NCC2CC2)Cc2ccc(Cl)cc2C1
InChIInChI=1S/C14H16ClNO2/c15-12-4-3-10-6-14(13(17)18,7-11(10)5-12)16-8-9-1-2-9/h3-5,9,16H,1-2,6-8H2,(H,17,18)
InChIKeyOEJNDNSDUZIMHI-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-(ethylamino)-1,3-dihydroindene-2-carboxamide
CID 115349249
5-chloro-2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxamide
CID 113291821
methyl 2-(cyclopropylmethylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 115510796
2-(3-azidopropylamino)-5-chloro-1,3-dihydroindene-2-carboxamide
CID 115349341
ethyl 5-chloro-2-(prop-2-ynylamino)-1,3-dihydroindene-2-carboxylate
CID 113291841
ethyl 5-chloro-2-(prop-2-enoylamino)-1,3-dihydroindene-2-carboxylate
CID 146095225
ethyl (2R)-2-amino-5-chloro-1,3-dihydroindene-2-carboxylate
CID 97290484
N-[(4-chloro-2-methylphenyl)methyl]-1-cyclopropylmethanamine
CID 104853922
CID 163274301
CID 163274301
2-(benzylamino)-1,3-dihydroindene-2-carboxylic acid
CID 60992148
6-chloro-N-(cyclopropylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 115867658
5-chloro-2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 103828221

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(cyclopropylmethylamino)-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 5-chloro-2-(cyclopropylmethylamino)-1,3-dihydroindene-2-carboxylic acid (CID 115349312) is 5-chloro-2-(cyclopropylmethylamino)-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 5-chloro-2-(cyclopropylmethylamino)-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 5-chloro-2-(cyclopropylmethylamino)-1,3-dihydroindene-2-carboxylic acid is O=C(O)C1(NCC2CC2)Cc2ccc(Cl)cc2C1.
What is the InChIKey of 5-chloro-2-(cyclopropylmethylamino)-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is OEJNDNSDUZIMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c15-12-4-3-10-6-14(13(17)18,7-11(10)5-12)16-8-9-1-2-9/h3-5,9,16H,1-2,6-8H2,(H,17,18).
What are the key properties of 5-chloro-2-(cyclopropylmethylamino)-1,3-dihydroindene-2-carboxylic acid?
5-chloro-2-(cyclopropylmethylamino)-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 265.74 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(cyclopropylmethylamino)-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 115349312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).