(3aR,6aR)-N-benzyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxamide

C14H19N3O — CID 97377168

IUPAC(3aR,6aR)-N-benzyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxamide
SMILESO=C(NCc1ccccc1)N1C[C@H]2CCN[C@H]2C1
InChIInChI=1S/C14H19N3O/c18-14(16-8-11-4-2-1-3-5-11)17-9-12-6-7-15-13(12)10-17/h1-5,12-13,15H,6-10H2,(H,16,18)/t12-,13+/m1/s1
InChIKeyDYADBUPWIRNZJG-OLZOCXBDSA-N
MW245.33 g/mol
LogP1.19
Rot. Bonds2

About (3aR,6aR)-N-benzyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxamide

(3aR,6aR)-N-benzyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxamide (PubChem CID 97377168) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (3aR,6aR)-N-benzyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxamide.

Molecular Properties

Compound Name(3aR,6aR)-N-benzyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxamide
PubChem CID97377168
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(3aR,6aR)-N-benzyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxamide
SMILESO=C(NCc1ccccc1)N1C[C@H]2CCN[C@H]2C1
InChIInChI=1S/C14H19N3O/c18-14(16-8-11-4-2-1-3-5-11)17-9-12-6-7-15-13(12)10-17/h1-5,12-13,15H,6-10H2,(H,16,18)/t12-,13+/m1/s1
InChIKeyDYADBUPWIRNZJG-OLZOCXBDSA-N
XLogP1.19
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3aR,6aR)-N-benzyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Benzylimidazolidin-2-one
CID 231403
(4R,5S)-(-)-1,5-Dimethyl-4-phenyl-2-imidazolidinone
CID 6931391
N-benzylpyrrolidine-1-carboxamide
CID 6459037
4-Phenylimidazolidin-2-one
CID 322644
1-(3-Methylbenzyl)imidazolidin-2-one
CID 3236942
1-(2-Fluorobenzyl)imidazolidin-2-one
CID 3244179
1-[(4-Fluorophenyl)methyl]imidazolidin-2-one
CID 4168948
1-(4-Methylbenzyl)imidazolidin-2-one
CID 4233133
(R)-3-(1-benzyl-pyrrolidin-3-yl)-5,5-diphenyl-imidazolidin-2-one
CID 16125223
1,1-Dimethyl-3-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-pyrrolidinium
CID 16125325
(S)-3-(1-benzyl-pyrrolidin-3-yl)-5,5-diphenyl-imidazolidin-2-one
CID 16125371
(2S)-2-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboxamide
CID 52641321

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-N-benzyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxamide?
The IUPAC name of (3aR,6aR)-N-benzyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxamide (CID 97377168) is (3aR,6aR)-N-benzyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxamide.
What is the SMILES notation for (3aR,6aR)-N-benzyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxamide?
The canonical SMILES for (3aR,6aR)-N-benzyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxamide is O=C(NCc1ccccc1)N1C[C@H]2CCN[C@H]2C1.
What is the InChIKey of (3aR,6aR)-N-benzyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxamide?
The InChIKey is DYADBUPWIRNZJG-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H19N3O/c18-14(16-8-11-4-2-1-3-5-11)17-9-12-6-7-15-13(12)10-17/h1-5,12-13,15H,6-10H2,(H,16,18)/t12-,13+/m1/s1.
What are the key properties of (3aR,6aR)-N-benzyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxamide?
(3aR,6aR)-N-benzyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxamide has a molecular weight of 245.33 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-N-benzyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxamide is sourced from PubChem (CID 97377168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).