5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-N-methyloxan-3-amine

C12H23N3O — CID 144608183

IUPAC5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-N-methyloxan-3-amine
SMILESCNC1COCC(N2CC3CCNC3C2)C1
InChIInChI=1S/C12H23N3O/c1-13-10-4-11(8-16-7-10)15-5-9-2-3-14-12(9)6-15/h9-14H,2-8H2,1H3
InChIKeyVHTZVJYJRCSMEW-UHFFFAOYSA-N
MW225.34 g/mol
LogP-0.34
Rot. Bonds2

About 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-N-methyloxan-3-amine

5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-N-methyloxan-3-amine (PubChem CID 144608183) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-N-methyloxan-3-amine.

Molecular Properties

Compound Name5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-N-methyloxan-3-amine
PubChem CID144608183
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-N-methyloxan-3-amine
SMILESCNC1COCC(N2CC3CCNC3C2)C1
InChIInChI=1S/C12H23N3O/c1-13-10-4-11(8-16-7-10)15-5-9-2-3-14-12(9)6-15/h9-14H,2-8H2,1H3
InChIKeyVHTZVJYJRCSMEW-UHFFFAOYSA-N
XLogP-0.34
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-N-methyloxan-3-amine?
The IUPAC name of 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-N-methyloxan-3-amine (CID 144608183) is 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-N-methyloxan-3-amine.
What is the SMILES notation for 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-N-methyloxan-3-amine?
The canonical SMILES for 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-N-methyloxan-3-amine is CNC1COCC(N2CC3CCNC3C2)C1.
What is the InChIKey of 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-N-methyloxan-3-amine?
The InChIKey is VHTZVJYJRCSMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-13-10-4-11(8-16-7-10)15-5-9-2-3-14-12(9)6-15/h9-14H,2-8H2,1H3.
What are the key properties of 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-N-methyloxan-3-amine?
5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-N-methyloxan-3-amine has a molecular weight of 225.34 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-N-methyloxan-3-amine is sourced from PubChem (CID 144608183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).