(1S,5R)-N-[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide

C18H24N2O2 — CID 100876121

IUPAC(1S,5R)-N-[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide
SMILESCOc1ccccc1N1CC[C@@H](NC(=O)C2[C@H]3CCC[C@@H]23)C1
InChIInChI=1S/C18H24N2O2/c1-22-16-8-3-2-7-15(16)20-10-9-12(11-20)19-18(21)17-13-5-4-6-14(13)17/h2-3,7-8,12-14,17H,4-6,9-11H2,1H3,(H,19,21)/t12-,13-,14+,17?/m1/s1
InChIKeyGORHMGSHQKLWJA-CXLVCKKSSA-N
MW300.40 g/mol
LogP2.44
Rot. Bonds4

About (1S,5R)-N-[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide

(1S,5R)-N-[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 100876121) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is (1S,5R)-N-[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1S,5R)-N-[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID100876121
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name(1S,5R)-N-[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide
SMILESCOc1ccccc1N1CC[C@@H](NC(=O)C2[C@H]3CCC[C@@H]23)C1
InChIInChI=1S/C18H24N2O2/c1-22-16-8-3-2-7-15(16)20-10-9-12(11-20)19-18(21)17-13-5-4-6-14(13)17/h2-3,7-8,12-14,17H,4-6,9-11H2,1H3,(H,19,21)/t12-,13-,14+,17?/m1/s1
InChIKeyGORHMGSHQKLWJA-CXLVCKKSSA-N
XLogP2.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,5R)-N-[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide with MolForge

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Related Compounds

N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 71921034
2-hydroxy-N-[1-(2-methoxyphenyl)piperidin-3-yl]cyclopentane-1-carboxamide
CID 110015870
3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 119895345
2,2,2-trifluoro-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]acetamide
CID 136514261
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-oxopiperidine-4-carboxamide
CID 136514939
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide
CID 119895369
3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methylbutanamide;dihydrochloride
CID 120504219
2-(cyclopropylmethylamino)-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]acetamide;dihydrochloride
CID 119895364
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]morpholine-3-carboxamide
CID 119895333
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-methylpyridazine-4-carboxamide
CID 136517434
4-(dimethylamino)-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]benzamide
CID 136514299
(2S)-2-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]carbamoylamino]-N,N-dimethylpropanamide
CID 124609038

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1S,5R)-N-[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide (CID 100876121) is (1S,5R)-N-[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1S,5R)-N-[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1S,5R)-N-[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide is COc1ccccc1N1CC[C@@H](NC(=O)C2[C@H]3CCC[C@@H]23)C1.
What is the InChIKey of (1S,5R)-N-[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is GORHMGSHQKLWJA-CXLVCKKSSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-22-16-8-3-2-7-15(16)20-10-9-12(11-20)19-18(21)17-13-5-4-6-14(13)17/h2-3,7-8,12-14,17H,4-6,9-11H2,1H3,(H,19,21)/t12-,13-,14+,17?/m1/s1.
What are the key properties of (1S,5R)-N-[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide?
(1S,5R)-N-[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 100876121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).