(1R,2R,4S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide

C19H21NO2 — CID 124782058

IUPAC(1R,2R,4S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide
SMILESO=C(N[C@@H]1CCOc2ccccc21)[C@@H]1C[C@H]2C=C[C@H]1C21CC1
InChIInChI=1S/C19H21NO2/c21-18(14-11-12-5-6-15(14)19(12)8-9-19)20-16-7-10-22-17-4-2-1-3-13(16)17/h1-6,12,14-16H,7-11H2,(H,20,21)/t12-,14-,15-,16-/m1/s1
InChIKeyOKKGULQMZCTYTJ-DTZQCDIJSA-N
MW295.38 g/mol
LogP3.23
Rot. Bonds2

About (1R,2R,4S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide

(1R,2R,4S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide (PubChem CID 124782058) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (1R,2R,4S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide.

Molecular Properties

Compound Name(1R,2R,4S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide
PubChem CID124782058
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(1R,2R,4S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide
SMILESO=C(N[C@@H]1CCOc2ccccc21)[C@@H]1C[C@H]2C=C[C@H]1C21CC1
InChIInChI=1S/C19H21NO2/c21-18(14-11-12-5-6-15(14)19(12)8-9-19)20-16-7-10-22-17-4-2-1-3-13(16)17/h1-6,12,14-16H,7-11H2,(H,20,21)/t12-,14-,15-,16-/m1/s1
InChIKeyOKKGULQMZCTYTJ-DTZQCDIJSA-N
XLogP3.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(2S)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9091701
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119685138
1-(3,4-dihydro-2H-chromen-4-yl)-2-[(1-ethylcyclobutyl)methyl]guanidine
CID 111969300
1-(3,4-dihydro-2H-chromen-4-yl)-2-[[1-(dimethylamino)cyclopropyl]methyl]guanidine
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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide?
The IUPAC name of (1R,2R,4S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide (CID 124782058) is (1R,2R,4S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide.
What is the SMILES notation for (1R,2R,4S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide?
The canonical SMILES for (1R,2R,4S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide is O=C(N[C@@H]1CCOc2ccccc21)[C@@H]1C[C@H]2C=C[C@H]1C21CC1.
What is the InChIKey of (1R,2R,4S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide?
The InChIKey is OKKGULQMZCTYTJ-DTZQCDIJSA-N. The full InChI is InChI=1S/C19H21NO2/c21-18(14-11-12-5-6-15(14)19(12)8-9-19)20-16-7-10-22-17-4-2-1-3-13(16)17/h1-6,12,14-16H,7-11H2,(H,20,21)/t12-,14-,15-,16-/m1/s1.
What are the key properties of (1R,2R,4S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide?
(1R,2R,4S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide has a molecular weight of 295.38 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide is sourced from PubChem (CID 124782058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).