5-chloro-1-methylspiro[2H-indole-3,1'-cyclopropane]

C11H12ClN — CID 133063265

IUPAC5-chloro-1-methylspiro[2H-indole-3,1'-cyclopropane]
SMILESCN1CC2(CC2)c2cc(Cl)ccc21
InChIInChI=1S/C11H12ClN/c1-13-7-11(4-5-11)9-6-8(12)2-3-10(9)13/h2-3,6H,4-5,7H2,1H3
InChIKeySDDNIRUBGDSKPP-UHFFFAOYSA-N
MW193.68 g/mol
LogP2.82
Rot. Bonds

About 5-chloro-1-methylspiro[2H-indole-3,1'-cyclopropane]

5-chloro-1-methylspiro[2H-indole-3,1'-cyclopropane] (PubChem CID 133063265) has the molecular formula C11H12ClN and a molecular weight of 193.68 g/mol. Its IUPAC name is 5-chloro-1-methylspiro[2H-indole-3,1'-cyclopropane].

Molecular Properties

Compound Name5-chloro-1-methylspiro[2H-indole-3,1'-cyclopropane]
PubChem CID133063265
Molecular FormulaC11H12ClN
Molecular Weight193.68 g/mol
Exact Mass193.07
IUPAC Name5-chloro-1-methylspiro[2H-indole-3,1'-cyclopropane]
SMILESCN1CC2(CC2)c2cc(Cl)ccc21
InChIInChI=1S/C11H12ClN/c1-13-7-11(4-5-11)9-6-8(12)2-3-10(9)13/h2-3,6H,4-5,7H2,1H3
InChIKeySDDNIRUBGDSKPP-UHFFFAOYSA-N
XLogP2.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.68
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(5-chloro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)propan-1-amine
CID 121353781
5-chloro-1'-(cyclopropylmethyl)-1-methylspiro[2H-indole-3,4'-piperidine]
CID 121353699
2-amino-1-[(3S)-5-chloro-1-methylspiro[2H-indole-3,3'-pyrrolidine]-1'-yl]ethanone
CID 90463977
1-(5-chloro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone
CID 71130193
6-chloro-1-methylspiro[2,3-dihydroquinoline-4,2'-cyclopropane]-1'-amine
CID 105480189
1,5-dimethylspiro[2H-indole-3,4'-piperidine]
CID 59466294
3-(1-tert-butyl-5-chlorospiro[2H-indole-3,4'-piperidine]-1'-yl)propan-1-amine
CID 58172176
1-tert-butyl-5-chloro-1'-[(4-chlorophenyl)methyl]spiro[2H-indole-3,4'-piperidine]
CID 58172220
1,1'-dimethyl-5-(trifluoromethyl)spiro[2H-indole-3,4'-piperidine]
CID 70927045
7-chloro-5-methylspiro[1,4-dihydro-1,5-benzodiazepine-3,1'-cyclohexane]-2-one
CID 115099890
(3R)-5-chloro-1'-methylspiro[1,2-dihydroindole-3,3'-pyrrolidine]
CID 70993859
5-chloro-3,3-dimethyl-1-methylsulfonyl-2H-indole
CID 82484283

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methylspiro[2H-indole-3,1'-cyclopropane]?
The IUPAC name of 5-chloro-1-methylspiro[2H-indole-3,1'-cyclopropane] (CID 133063265) is 5-chloro-1-methylspiro[2H-indole-3,1'-cyclopropane].
What is the SMILES notation for 5-chloro-1-methylspiro[2H-indole-3,1'-cyclopropane]?
The canonical SMILES for 5-chloro-1-methylspiro[2H-indole-3,1'-cyclopropane] is CN1CC2(CC2)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-methylspiro[2H-indole-3,1'-cyclopropane]?
The InChIKey is SDDNIRUBGDSKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN/c1-13-7-11(4-5-11)9-6-8(12)2-3-10(9)13/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 5-chloro-1-methylspiro[2H-indole-3,1'-cyclopropane]?
5-chloro-1-methylspiro[2H-indole-3,1'-cyclopropane] has a molecular weight of 193.68 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methylspiro[2H-indole-3,1'-cyclopropane] is sourced from PubChem (CID 133063265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).