6-[[(1Z)-1-[(1R,5R)-6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene]ethyl]amino]chromen-2-one

C19H19NO3 — CID 134758655

IUPAC6-[[(1Z)-1-[(1R,5R)-6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene]ethyl]amino]chromen-2-one
SMILESC/C(Nc1ccc2oc(=O)ccc2c1)=C1/C(=O)C[C@@H]2[C@@H]1C2(C)C
InChIInChI=1S/C19H19NO3/c1-10(17-14(21)9-13-18(17)19(13,2)3)20-12-5-6-15-11(8-12)4-7-16(22)23-15/h4-8,13,18,20H,9H2,1-3H3/b17-10+/t13-,18+/m1/s1
InChIKeyPNUQCGVJIJFTAX-SWAWKDMHSA-N
MW309.37 g/mol
LogP3.72
Rot. Bonds2

About 6-[[(1Z)-1-[(1R,5R)-6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene]ethyl]amino]chromen-2-one

6-[[(1Z)-1-[(1R,5R)-6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene]ethyl]amino]chromen-2-one (PubChem CID 134758655) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 6-[[(1Z)-1-[(1R,5R)-6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene]ethyl]amino]chromen-2-one.

Molecular Properties

Compound Name6-[[(1Z)-1-[(1R,5R)-6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene]ethyl]amino]chromen-2-one
PubChem CID134758655
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name6-[[(1Z)-1-[(1R,5R)-6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene]ethyl]amino]chromen-2-one
SMILESC/C(Nc1ccc2oc(=O)ccc2c1)=C1/C(=O)C[C@@H]2[C@@H]1C2(C)C
InChIInChI=1S/C19H19NO3/c1-10(17-14(21)9-13-18(17)19(13,2)3)20-12-5-6-15-11(8-12)4-7-16(22)23-15/h4-8,13,18,20H,9H2,1-3H3/b17-10+/t13-,18+/m1/s1
InChIKeyPNUQCGVJIJFTAX-SWAWKDMHSA-N
XLogP3.72
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 6-[[(1Z)-1-[(1R,5R)-6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene]ethyl]amino]chromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Acetamidocoumarin
CID 13262
N-(2-oxochromen-6-yl)butanamide
CID 969013
4-[(4-Ethoxyphenyl)amino]chromen-2-one
CID 5009928
(2E)-N-(2-oxo-2H-chromen-6-yl)-3-phenylprop-2-enamide
CID 938899
(2E)-3-(4-methoxyphenyl)-N-(2-oxo-2H-chromen-6-yl)prop-2-enamide
CID 16649050
4-(4-Methoxyanilino)chromen-2-one
CID 804466
2-methyl-N-(2-oxo-2H-chromen-6-yl)propanamide
CID 2213740
hCAIX-IN-5
CID 84223908
6-(Phenacylamino)chromen-2-one
CID 155518144
hCAIX-IN-7
CID 162649641
N-(2-oxochromen-6-yl)-2-phenylacetamide
CID 794755
6-[[(1Z)-1-[(1R)-6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene]ethyl]amino]chromen-2-one
CID 24867653

Frequently Asked Questions

What is the IUPAC name of 6-[[(1Z)-1-[(1R,5R)-6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene]ethyl]amino]chromen-2-one?
The IUPAC name of 6-[[(1Z)-1-[(1R,5R)-6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene]ethyl]amino]chromen-2-one (CID 134758655) is 6-[[(1Z)-1-[(1R,5R)-6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene]ethyl]amino]chromen-2-one.
What is the SMILES notation for 6-[[(1Z)-1-[(1R,5R)-6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene]ethyl]amino]chromen-2-one?
The canonical SMILES for 6-[[(1Z)-1-[(1R,5R)-6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene]ethyl]amino]chromen-2-one is C/C(Nc1ccc2oc(=O)ccc2c1)=C1/C(=O)C[C@@H]2[C@@H]1C2(C)C.
What is the InChIKey of 6-[[(1Z)-1-[(1R,5R)-6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene]ethyl]amino]chromen-2-one?
The InChIKey is PNUQCGVJIJFTAX-SWAWKDMHSA-N. The full InChI is InChI=1S/C19H19NO3/c1-10(17-14(21)9-13-18(17)19(13,2)3)20-12-5-6-15-11(8-12)4-7-16(22)23-15/h4-8,13,18,20H,9H2,1-3H3/b17-10+/t13-,18+/m1/s1.
What are the key properties of 6-[[(1Z)-1-[(1R,5R)-6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene]ethyl]amino]chromen-2-one?
6-[[(1Z)-1-[(1R,5R)-6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene]ethyl]amino]chromen-2-one has a molecular weight of 309.37 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1Z)-1-[(1R,5R)-6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene]ethyl]amino]chromen-2-one is sourced from PubChem (CID 134758655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).