(1aR,7aS)-7-oxo-N-phenyl-1,7a-dihydrocyclopropa[b]chromene-1a-carboxamide

C17H13NO3 — CID 92849740

IUPAC(1aR,7aS)-7-oxo-N-phenyl-1,7a-dihydrocyclopropa[b]chromene-1a-carboxamide
SMILESO=C1c2ccccc2O[C@]2(C(=O)Nc3ccccc3)C[C@H]12
InChIInChI=1S/C17H13NO3/c19-15-12-8-4-5-9-14(12)21-17(10-13(15)17)16(20)18-11-6-2-1-3-7-11/h1-9,13H,10H2,(H,18,20)/t13-,17-/m1/s1
InChIKeyIQXKCVCVMGJCGV-CXAGYDPISA-N
MW279.30 g/mol
LogP2.66
Rot. Bonds2

About (1aR,7aS)-7-oxo-N-phenyl-1,7a-dihydrocyclopropa[b]chromene-1a-carboxamide

(1aR,7aS)-7-oxo-N-phenyl-1,7a-dihydrocyclopropa[b]chromene-1a-carboxamide (PubChem CID 92849740) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is (1aR,7aS)-7-oxo-N-phenyl-1,7a-dihydrocyclopropa[b]chromene-1a-carboxamide.

Molecular Properties

Compound Name(1aR,7aS)-7-oxo-N-phenyl-1,7a-dihydrocyclopropa[b]chromene-1a-carboxamide
PubChem CID92849740
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name(1aR,7aS)-7-oxo-N-phenyl-1,7a-dihydrocyclopropa[b]chromene-1a-carboxamide
SMILESO=C1c2ccccc2O[C@]2(C(=O)Nc3ccccc3)C[C@H]12
InChIInChI=1S/C17H13NO3/c19-15-12-8-4-5-9-14(12)21-17(10-13(15)17)16(20)18-11-6-2-1-3-7-11/h1-9,13H,10H2,(H,18,20)/t13-,17-/m1/s1
InChIKeyIQXKCVCVMGJCGV-CXAGYDPISA-N
XLogP2.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-oxo-N-phenyl-1-benzofuran-2-carboxamide
CID 14294430
(1aS,7aS)-5-methyl-7-oxo-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylic acid
CID 98468909
(1aR,7aS)-5-ethyl-7-oxo-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylic acid
CID 97034444
5,5-dimethyl-2-oxo-N-phenyloxolane-3-carboxamide
CID 3473493
7-hydroxyimino-N-phenylcyclopropa[b]chromene-1a-carboxamide
CID 87397190
4-methyl-N-phenyldithiolane-4-carboxamide
CID 45111447
3-oxo-N-phenyl-1,2-dihydroindene-1-carboxamide
CID 154839553
4-oxo-2,3-dihydrochromene-3-carboxylic acid
CID 68674763
methyl 5-bromo-7-oxo-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylate
CID 102547389
1-fluoro-N-phenylcyclopropane-1-carboxamide
CID 170914538
dimethyl (1R,2R,11R,12R)-10,13-dioxo-3,20-dioxapentacyclo[10.8.0.02,11.04,9.014,19]icosa-4,6,8,14,16,18-hexaene-1,2-dicarboxylate
CID 101464223
1-chloro-N-phenylcyclopropane-1-carboxamide
CID 130016520

Frequently Asked Questions

What is the IUPAC name of (1aR,7aS)-7-oxo-N-phenyl-1,7a-dihydrocyclopropa[b]chromene-1a-carboxamide?
The IUPAC name of (1aR,7aS)-7-oxo-N-phenyl-1,7a-dihydrocyclopropa[b]chromene-1a-carboxamide (CID 92849740) is (1aR,7aS)-7-oxo-N-phenyl-1,7a-dihydrocyclopropa[b]chromene-1a-carboxamide.
What is the SMILES notation for (1aR,7aS)-7-oxo-N-phenyl-1,7a-dihydrocyclopropa[b]chromene-1a-carboxamide?
The canonical SMILES for (1aR,7aS)-7-oxo-N-phenyl-1,7a-dihydrocyclopropa[b]chromene-1a-carboxamide is O=C1c2ccccc2O[C@]2(C(=O)Nc3ccccc3)C[C@H]12.
What is the InChIKey of (1aR,7aS)-7-oxo-N-phenyl-1,7a-dihydrocyclopropa[b]chromene-1a-carboxamide?
The InChIKey is IQXKCVCVMGJCGV-CXAGYDPISA-N. The full InChI is InChI=1S/C17H13NO3/c19-15-12-8-4-5-9-14(12)21-17(10-13(15)17)16(20)18-11-6-2-1-3-7-11/h1-9,13H,10H2,(H,18,20)/t13-,17-/m1/s1.
What are the key properties of (1aR,7aS)-7-oxo-N-phenyl-1,7a-dihydrocyclopropa[b]chromene-1a-carboxamide?
(1aR,7aS)-7-oxo-N-phenyl-1,7a-dihydrocyclopropa[b]chromene-1a-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1aR,7aS)-7-oxo-N-phenyl-1,7a-dihydrocyclopropa[b]chromene-1a-carboxamide is sourced from PubChem (CID 92849740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).