7-chlorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine

C13H16ClNO — CID 82388879

IUPAC7-chlorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
SMILESNC1CC2(CCCC2)Oc2cc(Cl)ccc21
InChIInChI=1S/C13H16ClNO/c14-9-3-4-10-11(15)8-13(5-1-2-6-13)16-12(10)7-9/h3-4,7,11H,1-2,5-6,8,15H2
InChIKeyIWWJQHHNVNUFTQ-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.44
Rot. Bonds

About 7-chlorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine

7-chlorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine (PubChem CID 82388879) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 7-chlorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine.

Molecular Properties

Compound Name7-chlorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
PubChem CID82388879
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name7-chlorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
SMILESNC1CC2(CCCC2)Oc2cc(Cl)ccc21
InChIInChI=1S/C13H16ClNO/c14-9-3-4-10-11(15)8-13(5-1-2-6-13)16-12(10)7-9/h3-4,7,11H,1-2,5-6,8,15H2
InChIKeyIWWJQHHNVNUFTQ-UHFFFAOYSA-N
XLogP3.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,7-dichlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 66746467
(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 42129974
7-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 24804627
(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 42130060
6-chloro-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 82463025
6-chloro-4'-methylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 114708937
CID 114821592
CID 114821592
(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 95970213
6-chloro-3',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114709074
(4S)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104945253
(4R)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104945034
(4R)-6-chlorospiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104949252

Frequently Asked Questions

What is the IUPAC name of 7-chlorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The IUPAC name of 7-chlorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine (CID 82388879) is 7-chlorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine.
What is the SMILES notation for 7-chlorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The canonical SMILES for 7-chlorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine is NC1CC2(CCCC2)Oc2cc(Cl)ccc21.
What is the InChIKey of 7-chlorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The InChIKey is IWWJQHHNVNUFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c14-9-3-4-10-11(15)8-13(5-1-2-6-13)16-12(10)7-9/h3-4,7,11H,1-2,5-6,8,15H2.
What are the key properties of 7-chlorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
7-chlorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine has a molecular weight of 237.73 g/mol, XLogP of 3.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chlorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine is sourced from PubChem (CID 82388879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).