1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;(2-phenylphenyl)carbamic acid

C20H24N2O2 — CID 145294233

IUPAC1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;(2-phenylphenyl)carbamic acid
SMILESC1CC2CNCC2C1.O=C(O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C13H11NO2.C7H13N/c15-13(16)14-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-2-6-4-8-5-7(6)3-1/h1-9,14H,(H,15,16);6-8H,1-5H2
InChIKeyMEUVVMQLULZITJ-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.45
Rot. Bonds2

About 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;(2-phenylphenyl)carbamic acid

1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;(2-phenylphenyl)carbamic acid (PubChem CID 145294233) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;(2-phenylphenyl)carbamic acid.

Molecular Properties

Compound Name1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;(2-phenylphenyl)carbamic acid
PubChem CID145294233
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;(2-phenylphenyl)carbamic acid
SMILESC1CC2CNCC2C1.O=C(O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C13H11NO2.C7H13N/c15-13(16)14-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-2-6-4-8-5-7(6)3-1/h1-9,14H,(H,15,16);6-8H,1-5H2
InChIKeyMEUVVMQLULZITJ-UHFFFAOYSA-N
XLogP4.45
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;ethane;methane;(2-phenylphenyl)carbamic acid;propane
CID 145294184
N-(2-phenylphenyl)pyrrolidine-2-carboxamide
CID 18072250
1-cyclobutyl-3-(2-phenylphenyl)urea
CID 115617882
N-(2-phenylphenyl)piperidine-2-carboxamide
CID 18072559
1-cyclopropyl-3-(2-phenylphenyl)urea
CID 47195783
3-[cycloheptyl(methyl)amino]-N-(2-phenylphenyl)propanamide
CID 55482831
N-(2-phenylphenyl)oxolane-2-carboxamide
CID 2995133
2-cyclohexyl-N-(2-phenylphenyl)acetamide
CID 1317156
(2-pyridin-3-ylphenyl)carbamic acid
CID 174385651
1-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-3-(2-phenylphenyl)urea
CID 97082977
5-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propanoyl-methylamino]pentanoic acid;(2-phenylphenyl)carbamic acid
CID 145294284
2-(cyclopropylmethylamino)-N-(2-phenylphenyl)acetamide;hydrochloride
CID 119675331

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;(2-phenylphenyl)carbamic acid?
The IUPAC name of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;(2-phenylphenyl)carbamic acid (CID 145294233) is 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;(2-phenylphenyl)carbamic acid.
What is the SMILES notation for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;(2-phenylphenyl)carbamic acid?
The canonical SMILES for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;(2-phenylphenyl)carbamic acid is C1CC2CNCC2C1.O=C(O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;(2-phenylphenyl)carbamic acid?
The InChIKey is MEUVVMQLULZITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2.C7H13N/c15-13(16)14-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-2-6-4-8-5-7(6)3-1/h1-9,14H,(H,15,16);6-8H,1-5H2.
What are the key properties of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;(2-phenylphenyl)carbamic acid?
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;(2-phenylphenyl)carbamic acid has a molecular weight of 324.42 g/mol, XLogP of 4.45, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;(2-phenylphenyl)carbamic acid is sourced from PubChem (CID 145294233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).