N-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxamide

C11H21N3O — CID 74881814

IUPACN-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxamide
SMILESCC(C)(C)NC(=O)N1CC2CCNC2C1
InChIInChI=1S/C11H21N3O/c1-11(2,3)13-10(15)14-6-8-4-5-12-9(8)7-14/h8-9,12H,4-7H2,1-3H3,(H,13,15)
InChIKeyKIDDIOMKPPMKLF-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.79
Rot. Bonds

About N-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxamide

N-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxamide (PubChem CID 74881814) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxamide
PubChem CID74881814
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxamide
SMILESCC(C)(C)NC(=O)N1CC2CCNC2C1
InChIInChI=1S/C11H21N3O/c1-11(2,3)13-10(15)14-6-8-4-5-12-9(8)7-14/h8-9,12H,4-7H2,1-3H3,(H,13,15)
InChIKeyKIDDIOMKPPMKLF-UHFFFAOYSA-N
XLogP0.79
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(3aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-cyclopropylmethanone
CID 70649001
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)propan-1-one
CID 74881668
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-2,2,2-trifluoroethanone
CID 76982617
1-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-3-methoxy-3-methylbutan-1-one
CID 103019534
1-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2-cyclopropylpropan-1-one
CID 83154259
(4aS,7aS)-N-propyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carboxamide
CID 102680650
(4aS,7aS)-N-cyclopropyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carboxamide;hydrochloride
CID 155845466
4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 156607651
tert-butyl 1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carboxylate
CID 68729079
1-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2-methylsulfonylpropan-1-one
CID 104517904
(3aR,7aR)-N-butyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine-6-carboxamide
CID 178199557
tert-butyl (5aR,8aS)-2,3,4,5,5a,6,8,8a-octahydro-1H-pyrrolo[3,4-b]azepine-7-carboxylate
CID 82387774

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxamide?
The IUPAC name of N-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxamide (CID 74881814) is N-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxamide.
What is the SMILES notation for N-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxamide?
The canonical SMILES for N-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxamide is CC(C)(C)NC(=O)N1CC2CCNC2C1.
What is the InChIKey of N-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxamide?
The InChIKey is KIDDIOMKPPMKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-11(2,3)13-10(15)14-6-8-4-5-12-9(8)7-14/h8-9,12H,4-7H2,1-3H3,(H,13,15).
What are the key properties of N-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxamide?
N-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxamide has a molecular weight of 211.31 g/mol, XLogP of 0.79, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxamide is sourced from PubChem (CID 74881814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).