N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yloxolane-2-carboxamide

C18H23NO3 — CID 46958893

IUPACN-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yloxolane-2-carboxamide
SMILESO=C(NC1CC2(CCCC2)Oc2ccccc21)C1CCCO1
InChIInChI=1S/C18H23NO3/c20-17(16-8-5-11-21-16)19-14-12-18(9-3-4-10-18)22-15-7-2-1-6-13(14)15/h1-2,6-7,14,16H,3-5,8-12H2,(H,19,20)
InChIKeyKPYILEUQJVCYME-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.12
Rot. Bonds2

About N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yloxolane-2-carboxamide

N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yloxolane-2-carboxamide (PubChem CID 46958893) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yloxolane-2-carboxamide.

Molecular Properties

Compound NameN-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yloxolane-2-carboxamide
PubChem CID46958893
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC NameN-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yloxolane-2-carboxamide
SMILESO=C(NC1CC2(CCCC2)Oc2ccccc21)C1CCCO1
InChIInChI=1S/C18H23NO3/c20-17(16-8-5-11-21-16)19-14-12-18(9-3-4-10-18)22-15-7-2-1-6-13(14)15/h1-2,6-7,14,16H,3-5,8-12H2,(H,19,20)
InChIKeyKPYILEUQJVCYME-UHFFFAOYSA-N
XLogP3.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]oxolane-2-carboxamide
CID 51494028
N-(6-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-yl)oxolane-2-carboxamide
CID 110213448
2-hydroxy-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]acetamide
CID 99974584
2-hydroxy-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylacetamide
CID 86285388
1-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylcyclopentane-1-carboxamide
CID 119341963
1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]urea
CID 97223623
(2S)-2-amino-3-methyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide
CID 119341975
N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-1,3-thiazolidine-4-carboxamide
CID 119341941
3-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylpropanamide;hydrochloride
CID 119341948
3-amino-2-methyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide
CID 120502115
3-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbenzamide;hydrochloride
CID 119815673
N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyridine-3-carboxamide
CID 100628157

Frequently Asked Questions

What is the IUPAC name of N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yloxolane-2-carboxamide?
The IUPAC name of N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yloxolane-2-carboxamide (CID 46958893) is N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yloxolane-2-carboxamide.
What is the SMILES notation for N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yloxolane-2-carboxamide?
The canonical SMILES for N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yloxolane-2-carboxamide is O=C(NC1CC2(CCCC2)Oc2ccccc21)C1CCCO1.
What is the InChIKey of N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yloxolane-2-carboxamide?
The InChIKey is KPYILEUQJVCYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c20-17(16-8-5-11-21-16)19-14-12-18(9-3-4-10-18)22-15-7-2-1-6-13(14)15/h1-2,6-7,14,16H,3-5,8-12H2,(H,19,20).
What are the key properties of N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yloxolane-2-carboxamide?
N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yloxolane-2-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yloxolane-2-carboxamide is sourced from PubChem (CID 46958893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).