spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-5-carboxylic acid;hydrochloride

C12H14ClNO2 — CID 134691883

IUPACspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-5-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cccc2c1C1(CC1)CNC2
InChIInChI=1S/C12H13NO2.ClH/c14-11(15)9-3-1-2-8-6-13-7-12(4-5-12)10(8)9;/h1-3,13H,4-7H2,(H,14,15);1H
InChIKeyYKRLJLKLCPKHSF-UHFFFAOYSA-N
MW239.70 g/mol
LogP1.94
Rot. Bonds1

About spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-5-carboxylic acid;hydrochloride

spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-5-carboxylic acid;hydrochloride (PubChem CID 134691883) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Namespiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-5-carboxylic acid;hydrochloride
PubChem CID134691883
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Namespiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-5-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cccc2c1C1(CC1)CNC2
InChIInChI=1S/C12H13NO2.ClH/c14-11(15)9-3-1-2-8-6-13-7-12(4-5-12)10(8)9;/h1-3,13H,4-7H2,(H,14,15);1H
InChIKeyYKRLJLKLCPKHSF-UHFFFAOYSA-N
XLogP1.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-5-carboxylic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

spiro[1,2-dihydroindole-3,1'-cyclobutane]-4-carboxylic acid
CID 139410820
hydride;phthalic acid;rubidium(1+)
CID 173256629
5-methoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]
CID 82128708
(3S)-3-methyl-2,3-dihydro-1H-isoindole-4-carboxylic acid
CID 130650466
3-methyl-2,3-dihydro-1H-isoindole-4-carboxylic acid
CID 130040150
9,10-dihydroanthracene-1,5-dicarboxylic acid
CID 69239993
2,3-dihydro-1H-isoindole-4-carboxamide;hydrochloride
CID 162338352
N-hydroxy-2,3-dihydro-1H-isoindole-4-carboxamide;hydrochloride
CID 175813722
spiro[3,6,7,8-tetrahydropyrrolo[2,3-c][2,7]naphthyridine-9,4'-piperidine]-1'-carboxylic acid
CID 150014609
sodium;hydride;naphthalene-1,8-dicarboxylic acid
CID 175149963
dilithium;hydride;phthalic acid
CID 173011412
magnesium;hydride;phthalic acid
CID 173000994

Frequently Asked Questions

What is the IUPAC name of spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-5-carboxylic acid;hydrochloride?
The IUPAC name of spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-5-carboxylic acid;hydrochloride (CID 134691883) is spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-5-carboxylic acid;hydrochloride.
What is the SMILES notation for spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-5-carboxylic acid;hydrochloride?
The canonical SMILES for spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-5-carboxylic acid;hydrochloride is Cl.O=C(O)c1cccc2c1C1(CC1)CNC2.
What is the InChIKey of spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-5-carboxylic acid;hydrochloride?
The InChIKey is YKRLJLKLCPKHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2.ClH/c14-11(15)9-3-1-2-8-6-13-7-12(4-5-12)10(8)9;/h1-3,13H,4-7H2,(H,14,15);1H.
What are the key properties of spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-5-carboxylic acid;hydrochloride?
spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-5-carboxylic acid;hydrochloride has a molecular weight of 239.70 g/mol, XLogP of 1.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 134691883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).