1-chlorospiro[2H-indole-3,1'-cyclopropane]

C10H10ClN — CID 175936694

IUPAC1-chlorospiro[2H-indole-3,1'-cyclopropane]
SMILESClN1CC2(CC2)c2ccccc21
InChIInChI=1S/C10H10ClN/c11-12-7-10(5-6-10)8-3-1-2-4-9(8)12/h1-4H,5-7H2
InChIKeyJFBJDWNAVITFBS-UHFFFAOYSA-N
MW179.65 g/mol
LogP2.69
Rot. Bonds

About 1-chlorospiro[2H-indole-3,1'-cyclopropane]

1-chlorospiro[2H-indole-3,1'-cyclopropane] (PubChem CID 175936694) has the molecular formula C10H10ClN and a molecular weight of 179.65 g/mol. Its IUPAC name is 1-chlorospiro[2H-indole-3,1'-cyclopropane].

Molecular Properties

Compound Name1-chlorospiro[2H-indole-3,1'-cyclopropane]
PubChem CID175936694
Molecular FormulaC10H10ClN
Molecular Weight179.65 g/mol
Exact Mass179.05
IUPAC Name1-chlorospiro[2H-indole-3,1'-cyclopropane]
SMILESClN1CC2(CC2)c2ccccc21
InChIInChI=1S/C10H10ClN/c11-12-7-10(5-6-10)8-3-1-2-4-9(8)12/h1-4H,5-7H2
InChIKeyJFBJDWNAVITFBS-UHFFFAOYSA-N
XLogP2.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

1-(trifluoromethylsulfonyl)spiro[2H-indole-3,1'-cyclopropane]
CID 102449182
1-methylspiro[2H-indole-3,4'-cyclohexane]-1'-one
CID 164582024
spiro[2H-indole-3,1'-cyclohexane]-1-carboxylic acid
CID 175544645
1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone
CID 3039209
2-methyl-3-oxo-3-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropanoic acid
CID 122065639
1-propan-2-ylspiro[2H-indole-3,4'-oxane]
CID 146604363
1,1,2-trimethylspiro[3H-isoquinoline-4,1'-cyclopropane]
CID 118617410
1-(oxan-4-ylsulfonyl)spiro[2H-indole-3,1'-cyclopropane]
CID 56794326
cis-(1R,2S)-2-(spiro[2H-indole-3,1'-cyclopropane]-1-carbonyl)cyclopropane-1-carboxylic acid
CID 124727159
(2S,3S)-3-phenyl-3-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropane-1,2-diol
CID 151564587
phenyl(spiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone
CID 166223400
2-spiro[2,3-dihydroquinoline-4,1'-cyclopropane]-1-ylethanamine
CID 86712779

Frequently Asked Questions

What is the IUPAC name of 1-chlorospiro[2H-indole-3,1'-cyclopropane]?
The IUPAC name of 1-chlorospiro[2H-indole-3,1'-cyclopropane] (CID 175936694) is 1-chlorospiro[2H-indole-3,1'-cyclopropane].
What is the SMILES notation for 1-chlorospiro[2H-indole-3,1'-cyclopropane]?
The canonical SMILES for 1-chlorospiro[2H-indole-3,1'-cyclopropane] is ClN1CC2(CC2)c2ccccc21.
What is the InChIKey of 1-chlorospiro[2H-indole-3,1'-cyclopropane]?
The InChIKey is JFBJDWNAVITFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN/c11-12-7-10(5-6-10)8-3-1-2-4-9(8)12/h1-4H,5-7H2.
What are the key properties of 1-chlorospiro[2H-indole-3,1'-cyclopropane]?
1-chlorospiro[2H-indole-3,1'-cyclopropane] has a molecular weight of 179.65 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorospiro[2H-indole-3,1'-cyclopropane] is sourced from PubChem (CID 175936694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).