2-(6-chlorospiro[chromene-2,3'-pyrrolidine]-1'-yl)acetic acid

C14H14ClNO3 — CID 82047044

IUPAC2-(6-chlorospiro[chromene-2,3'-pyrrolidine]-1'-yl)acetic acid
SMILESO=C(O)CN1CCC2(C=Cc3cc(Cl)ccc3O2)C1
InChIInChI=1S/C14H14ClNO3/c15-11-1-2-12-10(7-11)3-4-14(19-12)5-6-16(9-14)8-13(17)18/h1-4,7H,5-6,8-9H2,(H,17,18)
InChIKeyKCRJQAKWNATQIT-UHFFFAOYSA-N
MW279.72 g/mol
LogP2.27
Rot. Bonds2

About 2-(6-chlorospiro[chromene-2,3'-pyrrolidine]-1'-yl)acetic acid

2-(6-chlorospiro[chromene-2,3'-pyrrolidine]-1'-yl)acetic acid (PubChem CID 82047044) has the molecular formula C14H14ClNO3 and a molecular weight of 279.72 g/mol. Its IUPAC name is 2-(6-chlorospiro[chromene-2,3'-pyrrolidine]-1'-yl)acetic acid.

Molecular Properties

Compound Name2-(6-chlorospiro[chromene-2,3'-pyrrolidine]-1'-yl)acetic acid
PubChem CID82047044
Molecular FormulaC14H14ClNO3
Molecular Weight279.72 g/mol
Exact Mass279.07
IUPAC Name2-(6-chlorospiro[chromene-2,3'-pyrrolidine]-1'-yl)acetic acid
SMILESO=C(O)CN1CCC2(C=Cc3cc(Cl)ccc3O2)C1
InChIInChI=1S/C14H14ClNO3/c15-11-1-2-12-10(7-11)3-4-14(19-12)5-6-16(9-14)8-13(17)18/h1-4,7H,5-6,8-9H2,(H,17,18)
InChIKeyKCRJQAKWNATQIT-UHFFFAOYSA-N
XLogP2.27
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-spiro[chromene-2,4'-piperidine]-1'-ylacetic acid
CID 68981311
3-spiro[chromene-2,3'-pyrrolidine]-1'-ylpropanoic acid
CID 82047094
2-(7-ethoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid
CID 82046695
2-(7-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid
CID 82046694
2-(6-chlorospiro[chromene-2,4'-piperidine]-1'-yl)-1-(2,4-dimethoxyphenyl)ethanol
CID 110222646
2-(5-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid
CID 82046698
2-(6-ethylspiro[chromene-2,4'-piperidine]-1'-yl)ethanamine
CID 82046764
N-[1'-(2-methylpropyl)spiro[chromene-2,4'-piperidine]-6-yl]benzamide
CID 25212194
2-(6-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)ethanamine
CID 82046777
3-chloro-2,2-dimethyl-1-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)propan-1-one
CID 108754007
3-(6,7-dimethylspiro[chromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine
CID 82047166
N,N-diethyl-6-phenylspiro[chromene-2,4'-piperidine]-1'-carboxamide
CID 108730414

Frequently Asked Questions

What is the IUPAC name of 2-(6-chlorospiro[chromene-2,3'-pyrrolidine]-1'-yl)acetic acid?
The IUPAC name of 2-(6-chlorospiro[chromene-2,3'-pyrrolidine]-1'-yl)acetic acid (CID 82047044) is 2-(6-chlorospiro[chromene-2,3'-pyrrolidine]-1'-yl)acetic acid.
What is the SMILES notation for 2-(6-chlorospiro[chromene-2,3'-pyrrolidine]-1'-yl)acetic acid?
The canonical SMILES for 2-(6-chlorospiro[chromene-2,3'-pyrrolidine]-1'-yl)acetic acid is O=C(O)CN1CCC2(C=Cc3cc(Cl)ccc3O2)C1.
What is the InChIKey of 2-(6-chlorospiro[chromene-2,3'-pyrrolidine]-1'-yl)acetic acid?
The InChIKey is KCRJQAKWNATQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3/c15-11-1-2-12-10(7-11)3-4-14(19-12)5-6-16(9-14)8-13(17)18/h1-4,7H,5-6,8-9H2,(H,17,18).
What are the key properties of 2-(6-chlorospiro[chromene-2,3'-pyrrolidine]-1'-yl)acetic acid?
2-(6-chlorospiro[chromene-2,3'-pyrrolidine]-1'-yl)acetic acid has a molecular weight of 279.72 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chlorospiro[chromene-2,3'-pyrrolidine]-1'-yl)acetic acid is sourced from PubChem (CID 82047044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).