6-butoxyspiro[chromene-2,3'-pyrrolidine]

C16H21NO2 — CID 82045979

IUPAC6-butoxyspiro[chromene-2,3'-pyrrolidine]
SMILESCCCCOc1ccc2c(c1)C=CC1(CCNC1)O2
InChIInChI=1S/C16H21NO2/c1-2-3-10-18-14-4-5-15-13(11-14)6-7-16(19-15)8-9-17-12-16/h4-7,11,17H,2-3,8-10,12H2,1H3
InChIKeyOCKLANXFYGPJIG-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.00
Rot. Bonds4

About 6-butoxyspiro[chromene-2,3'-pyrrolidine]

6-butoxyspiro[chromene-2,3'-pyrrolidine] (PubChem CID 82045979) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 6-butoxyspiro[chromene-2,3'-pyrrolidine].

Molecular Properties

Compound Name6-butoxyspiro[chromene-2,3'-pyrrolidine]
PubChem CID82045979
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name6-butoxyspiro[chromene-2,3'-pyrrolidine]
SMILESCCCCOc1ccc2c(c1)C=CC1(CCNC1)O2
InChIInChI=1S/C16H21NO2/c1-2-3-10-18-14-4-5-15-13(11-14)6-7-16(19-15)8-9-17-12-16/h4-7,11,17H,2-3,8-10,12H2,1H3
InChIKeyOCKLANXFYGPJIG-UHFFFAOYSA-N
XLogP3.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-butoxyspiro[chromene-2,4'-piperidine]
CID 82045814
6-tert-butylspiro[chromene-2,4'-piperidine]
CID 150143821
2-(6-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)ethanamine
CID 82046777
6-butoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 82462803
spiro[chromene-2,3'-pyrrolidine]-7,8-diol
CID 82045994
6-ethoxy-4-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]
CID 82047218
6-fluorospiro[chromene-2,4'-piperidine];6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]
CID 162112541
5-butoxy-3H-1,2-benzodioxole
CID 88819864
1-(3-butoxyphenyl)-3-[(3-hydroxypyrrolidin-3-yl)methyl]urea
CID 118785673
6-hexoxy-2H-chromene-3-carbaldehyde
CID 14971262
6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 11831848
2-(7-ethoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid
CID 82046695

Frequently Asked Questions

What is the IUPAC name of 6-butoxyspiro[chromene-2,3'-pyrrolidine]?
The IUPAC name of 6-butoxyspiro[chromene-2,3'-pyrrolidine] (CID 82045979) is 6-butoxyspiro[chromene-2,3'-pyrrolidine].
What is the SMILES notation for 6-butoxyspiro[chromene-2,3'-pyrrolidine]?
The canonical SMILES for 6-butoxyspiro[chromene-2,3'-pyrrolidine] is CCCCOc1ccc2c(c1)C=CC1(CCNC1)O2.
What is the InChIKey of 6-butoxyspiro[chromene-2,3'-pyrrolidine]?
The InChIKey is OCKLANXFYGPJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-2-3-10-18-14-4-5-15-13(11-14)6-7-16(19-15)8-9-17-12-16/h4-7,11,17H,2-3,8-10,12H2,1H3.
What are the key properties of 6-butoxyspiro[chromene-2,3'-pyrrolidine]?
6-butoxyspiro[chromene-2,3'-pyrrolidine] has a molecular weight of 259.35 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxyspiro[chromene-2,3'-pyrrolidine] is sourced from PubChem (CID 82045979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).