1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol

C17H25NO2 — CID 114714975

IUPAC1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
SMILESCCCN1CCCC2(CC1)CC(O)c1ccccc1O2
InChIInChI=1S/C17H25NO2/c1-2-10-18-11-5-8-17(9-12-18)13-15(19)14-6-3-4-7-16(14)20-17/h3-4,6-7,15,19H,2,5,8-13H2,1H3
InChIKeyLYWPROHNEOZMNR-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.14
Rot. Bonds2

About 1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol

1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol (PubChem CID 114714975) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol.

Molecular Properties

Compound Name1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
PubChem CID114714975
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
SMILESCCCN1CCCC2(CC1)CC(O)c1ccccc1O2
InChIInChI=1S/C17H25NO2/c1-2-10-18-11-5-8-17(9-12-18)13-15(19)14-6-3-4-7-16(14)20-17/h3-4,6-7,15,19H,2,5,8-13H2,1H3
InChIKeyLYWPROHNEOZMNR-UHFFFAOYSA-N
XLogP3.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol?
The IUPAC name of 1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol (CID 114714975) is 1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol.
What is the SMILES notation for 1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol?
The canonical SMILES for 1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol is CCCN1CCCC2(CC1)CC(O)c1ccccc1O2.
What is the InChIKey of 1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol?
The InChIKey is LYWPROHNEOZMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-10-18-11-5-8-17(9-12-18)13-15(19)14-6-3-4-7-16(14)20-17/h3-4,6-7,15,19H,2,5,8-13H2,1H3.
What are the key properties of 1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol?
1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol has a molecular weight of 275.39 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol is sourced from PubChem (CID 114714975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).