5-cyclopropyl-2-[(1-methylpyrrol-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C15H23N3 — CID 121185597

IUPAC5-cyclopropyl-2-[(1-methylpyrrol-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCn1cccc1CN1CC2CN(C3CC3)CC2C1
InChIInChI=1S/C15H23N3/c1-16-6-2-3-15(16)11-17-7-12-9-18(14-4-5-14)10-13(12)8-17/h2-3,6,12-14H,4-5,7-11H2,1H3
InChIKeyMSKYDMMCQPYZMK-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.55
Rot. Bonds3

About 5-cyclopropyl-2-[(1-methylpyrrol-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

5-cyclopropyl-2-[(1-methylpyrrol-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 121185597) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 5-cyclopropyl-2-[(1-methylpyrrol-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-cyclopropyl-2-[(1-methylpyrrol-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID121185597
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name5-cyclopropyl-2-[(1-methylpyrrol-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCn1cccc1CN1CC2CN(C3CC3)CC2C1
InChIInChI=1S/C15H23N3/c1-16-6-2-3-15(16)11-17-7-12-9-18(14-4-5-14)10-13(12)8-17/h2-3,6,12-14H,4-5,7-11H2,1H3
InChIKeyMSKYDMMCQPYZMK-UHFFFAOYSA-N
XLogP1.55
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[(1-methylpyrrol-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-cyclopropyl-2-[(1-methylpyrrol-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 121185597) is 5-cyclopropyl-2-[(1-methylpyrrol-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-cyclopropyl-2-[(1-methylpyrrol-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-cyclopropyl-2-[(1-methylpyrrol-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is Cn1cccc1CN1CC2CN(C3CC3)CC2C1.
What is the InChIKey of 5-cyclopropyl-2-[(1-methylpyrrol-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is MSKYDMMCQPYZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-16-6-2-3-15(16)11-17-7-12-9-18(14-4-5-14)10-13(12)8-17/h2-3,6,12-14H,4-5,7-11H2,1H3.
What are the key properties of 5-cyclopropyl-2-[(1-methylpyrrol-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
5-cyclopropyl-2-[(1-methylpyrrol-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 245.37 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[(1-methylpyrrol-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 121185597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).