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

C14H25N3O — CID 66207833

IUPACN-cyclohexyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide
SMILESCC1C2CNCC2CN1C(=O)NC1CCCCC1
InChIInChI=1S/C14H25N3O/c1-10-13-8-15-7-11(13)9-17(10)14(18)16-12-5-3-2-4-6-12/h10-13,15H,2-9H2,1H3,(H,16,18)
InChIKeySWORUWMYQWKAQO-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.57
Rot. Bonds1

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

N-cyclohexyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide (PubChem CID 66207833) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-cyclohexyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide
PubChem CID66207833
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-cyclohexyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide
SMILESCC1C2CNCC2CN1C(=O)NC1CCCCC1
InChIInChI=1S/C14H25N3O/c1-10-13-8-15-7-11(13)9-17(10)14(18)16-12-5-3-2-4-6-12/h10-13,15H,2-9H2,1H3,(H,16,18)
InChIKeySWORUWMYQWKAQO-UHFFFAOYSA-N
XLogP1.57
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide?
The IUPAC name of N-cyclohexyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide (CID 66207833) is N-cyclohexyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide is CC1C2CNCC2CN1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide?
The InChIKey is SWORUWMYQWKAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-10-13-8-15-7-11(13)9-17(10)14(18)16-12-5-3-2-4-6-12/h10-13,15H,2-9H2,1H3,(H,16,18).
What are the key properties of N-cyclohexyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide?
N-cyclohexyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide is sourced from PubChem (CID 66207833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).