N-[(9S)-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-9-yl]acetamide

C15H19NO2 — CID 70608624

IUPACN-[(9S)-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-9-yl]acetamide
SMILESCC(=O)N[C@H]1CCC2COc3ccccc3C2C1
InChIInChI=1S/C15H19NO2/c1-10(17)16-12-7-6-11-9-18-15-5-3-2-4-13(15)14(11)8-12/h2-5,11-12,14H,6-9H2,1H3,(H,16,17)/t11?,12-,14?/m0/s1
InChIKeyFPNDEPRXYIWZBS-LXVYMNJGSA-N
MW245.32 g/mol
LogP2.47
Rot. Bonds1

About N-[(9S)-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-9-yl]acetamide

N-[(9S)-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-9-yl]acetamide (PubChem CID 70608624) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-[(9S)-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-9-yl]acetamide.

Molecular Properties

Compound NameN-[(9S)-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-9-yl]acetamide
PubChem CID70608624
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-[(9S)-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-9-yl]acetamide
SMILESCC(=O)N[C@H]1CCC2COc3ccccc3C2C1
InChIInChI=1S/C15H19NO2/c1-10(17)16-12-7-6-11-9-18-15-5-3-2-4-13(15)14(11)8-12/h2-5,11-12,14H,6-9H2,1H3,(H,16,17)/t11?,12-,14?/m0/s1
InChIKeyFPNDEPRXYIWZBS-LXVYMNJGSA-N
XLogP2.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(9S)-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-9-yl]acetamide with MolForge

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Related Compounds

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CID 125463978
N-cyclopropyl-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]acetamide
CID 104523927
tert-butyl (3aS,9bS)-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole-2-carboxylate
CID 165145719
(3aR,9bS)-3,3a,4,9b-tetrahydro-1H-cyclopenta[c]chromen-2-one
CID 169308199
2,3-dihydro-1-benzofuran-3-ylurea
CID 62065035
methyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate
CID 95340884
3-(methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 13446113
4-[(3-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 155955393
bis(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 174352835
N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide
CID 110709223
N-[(1R,3R)-3-phenylcyclohexyl]acetamide
CID 102139469

Frequently Asked Questions

What is the IUPAC name of N-[(9S)-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-9-yl]acetamide?
The IUPAC name of N-[(9S)-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-9-yl]acetamide (CID 70608624) is N-[(9S)-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-9-yl]acetamide.
What is the SMILES notation for N-[(9S)-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-9-yl]acetamide?
The canonical SMILES for N-[(9S)-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-9-yl]acetamide is CC(=O)N[C@H]1CCC2COc3ccccc3C2C1.
What is the InChIKey of N-[(9S)-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-9-yl]acetamide?
The InChIKey is FPNDEPRXYIWZBS-LXVYMNJGSA-N. The full InChI is InChI=1S/C15H19NO2/c1-10(17)16-12-7-6-11-9-18-15-5-3-2-4-13(15)14(11)8-12/h2-5,11-12,14H,6-9H2,1H3,(H,16,17)/t11?,12-,14?/m0/s1.
What are the key properties of N-[(9S)-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-9-yl]acetamide?
N-[(9S)-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-9-yl]acetamide has a molecular weight of 245.32 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(9S)-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-9-yl]acetamide is sourced from PubChem (CID 70608624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).