[(1R,2R,6S,7R,8S)-8-tricyclo[5.2.1.02,6]decanyl] N-(3-chlorophenyl)carbamate

C17H20ClNO2 — CID 11896849

IUPAC[(1R,2R,6S,7R,8S)-8-tricyclo[5.2.1.02,6]decanyl] N-(3-chlorophenyl)carbamate
SMILESO=C(Nc1cccc(Cl)c1)O[C@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@H]21
InChIInChI=1S/C17H20ClNO2/c18-11-3-1-4-12(9-11)19-17(20)21-16-8-10-7-15(16)14-6-2-5-13(10)14/h1,3-4,9-10,13-16H,2,5-8H2,(H,19,20)/t10-,13-,14+,15-,16+/m1/s1
InChIKeyQQVIXMXFASDIPD-IRHMCKRBSA-N
MW305.80 g/mol
LogP4.71
Rot. Bonds2

About [(1R,2R,6S,7R,8S)-8-tricyclo[5.2.1.02,6]decanyl] N-(3-chlorophenyl)carbamate

[(1R,2R,6S,7R,8S)-8-tricyclo[5.2.1.02,6]decanyl] N-(3-chlorophenyl)carbamate (PubChem CID 11896849) has the molecular formula C17H20ClNO2 and a molecular weight of 305.80 g/mol. Its IUPAC name is [(1R,2R,6S,7R,8S)-8-tricyclo[5.2.1.02,6]decanyl] N-(3-chlorophenyl)carbamate.

Molecular Properties

Compound Name[(1R,2R,6S,7R,8S)-8-tricyclo[5.2.1.02,6]decanyl] N-(3-chlorophenyl)carbamate
PubChem CID11896849
Molecular FormulaC17H20ClNO2
Molecular Weight305.80 g/mol
Exact Mass305.12
IUPAC Name[(1R,2R,6S,7R,8S)-8-tricyclo[5.2.1.02,6]decanyl] N-(3-chlorophenyl)carbamate
SMILESO=C(Nc1cccc(Cl)c1)O[C@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@H]21
InChIInChI=1S/C17H20ClNO2/c18-11-3-1-4-12(9-11)19-17(20)21-16-8-10-7-15(16)14-6-2-5-13(10)14/h1,3-4,9-10,13-16H,2,5-8H2,(H,19,20)/t10-,13-,14+,15-,16+/m1/s1
InChIKeyQQVIXMXFASDIPD-IRHMCKRBSA-N
XLogP4.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.80
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(1R,2R,6S,7R,8S)-8-tricyclo[5.2.1.02,6]decanyl] N-(3-chlorophenyl)carbamate with MolForge

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Related Compounds

[(1R,2R,6S,7R,8R)-8-tricyclo[5.2.1.02,6]decanyl] N-(3-chlorophenyl)carbamate
CID 11896848
[(1R,2S,6R,7R,8S)-8-tricyclo[5.2.1.02,6]decanyl] N-(3-chlorophenyl)carbamate
CID 25408044
[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] N-(3-chlorophenyl)carbamate
CID 124922833
[3-(methylaminomethyl)cyclobutyl] N-(3-chlorophenyl)carbamate
CID 79346589
methyl N-(3-chlorophenyl)carbamate
CID 16529
cyclohexylmethyl N-(3-chlorophenyl)carbamate
CID 27108719
[(1S,2R,3R,5R,7R,8R,9S)-4-oxatetracyclo[6.2.1.02,7.03,5]undecan-9-yl] N-(3,5-dichlorophenyl)carbamate
CID 98477912
2,2-dichloroethenyl N-(3-chlorophenyl)carbamate
CID 14150192
4-oxatetracyclo[6.2.1.02,7.03,5]undecan-9-yl N-(4-chlorophenyl)carbamate
CID 5084152
1-[[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-3-(3-chlorophenyl)urea
CID 98293387
N-(3-chlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108516493
1-(3-chlorophenyl)-3-(cyclopentylmethyl)urea
CID 38887276

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,6S,7R,8S)-8-tricyclo[5.2.1.02,6]decanyl] N-(3-chlorophenyl)carbamate?
The IUPAC name of [(1R,2R,6S,7R,8S)-8-tricyclo[5.2.1.02,6]decanyl] N-(3-chlorophenyl)carbamate (CID 11896849) is [(1R,2R,6S,7R,8S)-8-tricyclo[5.2.1.02,6]decanyl] N-(3-chlorophenyl)carbamate.
What is the SMILES notation for [(1R,2R,6S,7R,8S)-8-tricyclo[5.2.1.02,6]decanyl] N-(3-chlorophenyl)carbamate?
The canonical SMILES for [(1R,2R,6S,7R,8S)-8-tricyclo[5.2.1.02,6]decanyl] N-(3-chlorophenyl)carbamate is O=C(Nc1cccc(Cl)c1)O[C@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@H]21.
What is the InChIKey of [(1R,2R,6S,7R,8S)-8-tricyclo[5.2.1.02,6]decanyl] N-(3-chlorophenyl)carbamate?
The InChIKey is QQVIXMXFASDIPD-IRHMCKRBSA-N. The full InChI is InChI=1S/C17H20ClNO2/c18-11-3-1-4-12(9-11)19-17(20)21-16-8-10-7-15(16)14-6-2-5-13(10)14/h1,3-4,9-10,13-16H,2,5-8H2,(H,19,20)/t10-,13-,14+,15-,16+/m1/s1.
What are the key properties of [(1R,2R,6S,7R,8S)-8-tricyclo[5.2.1.02,6]decanyl] N-(3-chlorophenyl)carbamate?
[(1R,2R,6S,7R,8S)-8-tricyclo[5.2.1.02,6]decanyl] N-(3-chlorophenyl)carbamate has a molecular weight of 305.80 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,6S,7R,8S)-8-tricyclo[5.2.1.02,6]decanyl] N-(3-chlorophenyl)carbamate is sourced from PubChem (CID 11896849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).