5-cyclopropyl-4-methyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine

C11H20N2 — CID 83846582

IUPAC5-cyclopropyl-4-methyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine
SMILESCC1C2CNCC2CCN1C1CC1
InChIInChI=1S/C11H20N2/c1-8-11-7-12-6-9(11)4-5-13(8)10-2-3-10/h8-12H,2-7H2,1H3
InChIKeyQMQPQOWZOIHHFT-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.08
Rot. Bonds1

About 5-cyclopropyl-4-methyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine

5-cyclopropyl-4-methyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine (PubChem CID 83846582) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 5-cyclopropyl-4-methyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-cyclopropyl-4-methyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine
PubChem CID83846582
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name5-cyclopropyl-4-methyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine
SMILESCC1C2CNCC2CCN1C1CC1
InChIInChI=1S/C11H20N2/c1-8-11-7-12-6-9(11)4-5-13(8)10-2-3-10/h8-12H,2-7H2,1H3
InChIKeyQMQPQOWZOIHHFT-UHFFFAOYSA-N
XLogP1.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-cyclopropyl-4-methyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine with MolForge

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Related Compounds

4-methyl-5-(1-propan-2-ylazepan-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66212234
(3aR,6aR)-1-cyclopentyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole
CID 131031737
1-methyl-3-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrrolidin-2-one
CID 66208843
4-methyl-5-(2-methyloxan-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66213020
5-(3-methoxycyclobutyl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 106822959
4-(azetidin-3-yl)-1-cyclopropylpiperidine
CID 138111863
4-methyl-5-(6-oxaspiro[4.5]decan-9-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 79899136
4-ethyl-5-(4-methylcyclohexyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66209662
5-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 79898828
(3aS,6aS)-1-(oxan-4-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole
CID 130761874
(4aR,7aR)-1-cyclopropyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 131002494
4-methyl-5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66211470

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-methyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine?
The IUPAC name of 5-cyclopropyl-4-methyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine (CID 83846582) is 5-cyclopropyl-4-methyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine.
What is the SMILES notation for 5-cyclopropyl-4-methyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine?
The canonical SMILES for 5-cyclopropyl-4-methyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine is CC1C2CNCC2CCN1C1CC1.
What is the InChIKey of 5-cyclopropyl-4-methyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine?
The InChIKey is QMQPQOWZOIHHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-8-11-7-12-6-9(11)4-5-13(8)10-2-3-10/h8-12H,2-7H2,1H3.
What are the key properties of 5-cyclopropyl-4-methyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine?
5-cyclopropyl-4-methyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine has a molecular weight of 180.29 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-methyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine is sourced from PubChem (CID 83846582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).