bicyclo[3.1.0]hexa-1(6),2,4-triene;3-propyl-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole

C15H21NO — CID 70634014

IUPACbicyclo[3.1.0]hexa-1(6),2,4-triene;3-propyl-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole
SMILESCCCC1OCC2CNCC21.c1cc2cc-2c1
InChIInChI=1S/C9H17NO.C6H4/c1-2-3-9-8-5-10-4-7(8)6-11-9;1-2-5-4-6(5)3-1/h7-10H,2-6H2,1H3;1-4H
InChIKeyBXDPDVPZFUOWCD-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.69
Rot. Bonds2

About bicyclo[3.1.0]hexa-1(6),2,4-triene;3-propyl-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole

bicyclo[3.1.0]hexa-1(6),2,4-triene;3-propyl-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole (PubChem CID 70634014) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is bicyclo[3.1.0]hexa-1(6),2,4-triene;3-propyl-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole.

Molecular Properties

Compound Namebicyclo[3.1.0]hexa-1(6),2,4-triene;3-propyl-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole
PubChem CID70634014
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Namebicyclo[3.1.0]hexa-1(6),2,4-triene;3-propyl-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole
SMILESCCCC1OCC2CNCC21.c1cc2cc-2c1
InChIInChI=1S/C9H17NO.C6H4/c1-2-3-9-8-5-10-4-7(8)6-11-9;1-2-5-4-6(5)3-1/h7-10H,2-6H2,1H3;1-4H
InChIKeyBXDPDVPZFUOWCD-UHFFFAOYSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bicyclo[3.1.0]hexa-1(6),2,4-triene;3-propyl-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole?
The IUPAC name of bicyclo[3.1.0]hexa-1(6),2,4-triene;3-propyl-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole (CID 70634014) is bicyclo[3.1.0]hexa-1(6),2,4-triene;3-propyl-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole.
What is the SMILES notation for bicyclo[3.1.0]hexa-1(6),2,4-triene;3-propyl-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole?
The canonical SMILES for bicyclo[3.1.0]hexa-1(6),2,4-triene;3-propyl-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole is CCCC1OCC2CNCC21.c1cc2cc-2c1.
What is the InChIKey of bicyclo[3.1.0]hexa-1(6),2,4-triene;3-propyl-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole?
The InChIKey is BXDPDVPZFUOWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C6H4/c1-2-3-9-8-5-10-4-7(8)6-11-9;1-2-5-4-6(5)3-1/h7-10H,2-6H2,1H3;1-4H.
What are the key properties of bicyclo[3.1.0]hexa-1(6),2,4-triene;3-propyl-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole?
bicyclo[3.1.0]hexa-1(6),2,4-triene;3-propyl-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole has a molecular weight of 231.34 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.1.0]hexa-1(6),2,4-triene;3-propyl-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole is sourced from PubChem (CID 70634014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).