2-cyclohexa-1,3-dien-1-yl-1-(4-methylpent-1-en-2-yl)pyrrolidine

C16H25N — CID 138554567

IUPAC2-cyclohexa-1,3-dien-1-yl-1-(4-methylpent-1-en-2-yl)pyrrolidine
SMILESC=C(CC(C)C)N1CCCC1C1=CC=CCC1
InChIInChI=1S/C16H25N/c1-13(2)12-14(3)17-11-7-10-16(17)15-8-5-4-6-9-15/h4-5,8,13,16H,3,6-7,9-12H2,1-2H3
InChIKeyQDKRTWJUHPAHJC-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.29
Rot. Bonds4

About 2-cyclohexa-1,3-dien-1-yl-1-(4-methylpent-1-en-2-yl)pyrrolidine

2-cyclohexa-1,3-dien-1-yl-1-(4-methylpent-1-en-2-yl)pyrrolidine (PubChem CID 138554567) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-cyclohexa-1,3-dien-1-yl-1-(4-methylpent-1-en-2-yl)pyrrolidine.

Molecular Properties

Compound Name2-cyclohexa-1,3-dien-1-yl-1-(4-methylpent-1-en-2-yl)pyrrolidine
PubChem CID138554567
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name2-cyclohexa-1,3-dien-1-yl-1-(4-methylpent-1-en-2-yl)pyrrolidine
SMILESC=C(CC(C)C)N1CCCC1C1=CC=CCC1
InChIInChI=1S/C16H25N/c1-13(2)12-14(3)17-11-7-10-16(17)15-8-5-4-6-9-15/h4-5,8,13,16H,3,6-7,9-12H2,1-2H3
InChIKeyQDKRTWJUHPAHJC-UHFFFAOYSA-N
XLogP4.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,3-dien-1-yl-1-(4-methylpent-1-en-2-yl)pyrrolidine?
The IUPAC name of 2-cyclohexa-1,3-dien-1-yl-1-(4-methylpent-1-en-2-yl)pyrrolidine (CID 138554567) is 2-cyclohexa-1,3-dien-1-yl-1-(4-methylpent-1-en-2-yl)pyrrolidine.
What is the SMILES notation for 2-cyclohexa-1,3-dien-1-yl-1-(4-methylpent-1-en-2-yl)pyrrolidine?
The canonical SMILES for 2-cyclohexa-1,3-dien-1-yl-1-(4-methylpent-1-en-2-yl)pyrrolidine is C=C(CC(C)C)N1CCCC1C1=CC=CCC1.
What is the InChIKey of 2-cyclohexa-1,3-dien-1-yl-1-(4-methylpent-1-en-2-yl)pyrrolidine?
The InChIKey is QDKRTWJUHPAHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-13(2)12-14(3)17-11-7-10-16(17)15-8-5-4-6-9-15/h4-5,8,13,16H,3,6-7,9-12H2,1-2H3.
What are the key properties of 2-cyclohexa-1,3-dien-1-yl-1-(4-methylpent-1-en-2-yl)pyrrolidine?
2-cyclohexa-1,3-dien-1-yl-1-(4-methylpent-1-en-2-yl)pyrrolidine has a molecular weight of 231.38 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,3-dien-1-yl-1-(4-methylpent-1-en-2-yl)pyrrolidine is sourced from PubChem (CID 138554567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).