1-[4-(cyclopropylmethoxy)cyclohexa-1,3-dien-1-yl]pyrrolidine

C14H21NO — CID 144603191

IUPAC1-[4-(cyclopropylmethoxy)cyclohexa-1,3-dien-1-yl]pyrrolidine
SMILESC1=C(OCC2CC2)CCC(N2CCCC2)=C1
InChIInChI=1S/C14H21NO/c1-2-10-15(9-1)13-5-7-14(8-6-13)16-11-12-3-4-12/h5,7,12H,1-4,6,8-11H2
InChIKeyYXOIRFIWJXTIOR-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.07
Rot. Bonds4

About 1-[4-(cyclopropylmethoxy)cyclohexa-1,3-dien-1-yl]pyrrolidine

1-[4-(cyclopropylmethoxy)cyclohexa-1,3-dien-1-yl]pyrrolidine (PubChem CID 144603191) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethoxy)cyclohexa-1,3-dien-1-yl]pyrrolidine.

Molecular Properties

Compound Name1-[4-(cyclopropylmethoxy)cyclohexa-1,3-dien-1-yl]pyrrolidine
PubChem CID144603191
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-[4-(cyclopropylmethoxy)cyclohexa-1,3-dien-1-yl]pyrrolidine
SMILESC1=C(OCC2CC2)CCC(N2CCCC2)=C1
InChIInChI=1S/C14H21NO/c1-2-10-15(9-1)13-5-7-14(8-6-13)16-11-12-3-4-12/h5,7,12H,1-4,6,8-11H2
InChIKeyYXOIRFIWJXTIOR-UHFFFAOYSA-N
XLogP3.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-(cyclopropylmethoxy)cyclohexa-1,3-dien-1-yl]pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethoxy)cyclohexa-1,3-dien-1-yl]pyrrolidine?
The IUPAC name of 1-[4-(cyclopropylmethoxy)cyclohexa-1,3-dien-1-yl]pyrrolidine (CID 144603191) is 1-[4-(cyclopropylmethoxy)cyclohexa-1,3-dien-1-yl]pyrrolidine.
What is the SMILES notation for 1-[4-(cyclopropylmethoxy)cyclohexa-1,3-dien-1-yl]pyrrolidine?
The canonical SMILES for 1-[4-(cyclopropylmethoxy)cyclohexa-1,3-dien-1-yl]pyrrolidine is C1=C(OCC2CC2)CCC(N2CCCC2)=C1.
What is the InChIKey of 1-[4-(cyclopropylmethoxy)cyclohexa-1,3-dien-1-yl]pyrrolidine?
The InChIKey is YXOIRFIWJXTIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-10-15(9-1)13-5-7-14(8-6-13)16-11-12-3-4-12/h5,7,12H,1-4,6,8-11H2.
What are the key properties of 1-[4-(cyclopropylmethoxy)cyclohexa-1,3-dien-1-yl]pyrrolidine?
1-[4-(cyclopropylmethoxy)cyclohexa-1,3-dien-1-yl]pyrrolidine has a molecular weight of 219.33 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethoxy)cyclohexa-1,3-dien-1-yl]pyrrolidine is sourced from PubChem (CID 144603191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).