1-[3-(5-cyclopropyloxycyclohepta-1,4,6-trien-1-yl)propyl]pyrrolidine

C17H25NO — CID 134288520

IUPAC1-[3-(5-cyclopropyloxycyclohepta-1,4,6-trien-1-yl)propyl]pyrrolidine
SMILESC1=CC(OC2CC2)=CCC=C1CCCN1CCCC1
InChIInChI=1S/C17H25NO/c1-2-13-18(12-1)14-4-6-15-5-3-7-16(9-8-15)19-17-10-11-17/h5,7-9,17H,1-4,6,10-14H2
InChIKeyICXOKXLNYXTVIB-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.81
Rot. Bonds6

About 1-[3-(5-cyclopropyloxycyclohepta-1,4,6-trien-1-yl)propyl]pyrrolidine

1-[3-(5-cyclopropyloxycyclohepta-1,4,6-trien-1-yl)propyl]pyrrolidine (PubChem CID 134288520) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-[3-(5-cyclopropyloxycyclohepta-1,4,6-trien-1-yl)propyl]pyrrolidine.

Molecular Properties

Compound Name1-[3-(5-cyclopropyloxycyclohepta-1,4,6-trien-1-yl)propyl]pyrrolidine
PubChem CID134288520
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-[3-(5-cyclopropyloxycyclohepta-1,4,6-trien-1-yl)propyl]pyrrolidine
SMILESC1=CC(OC2CC2)=CCC=C1CCCN1CCCC1
InChIInChI=1S/C17H25NO/c1-2-13-18(12-1)14-4-6-15-5-3-7-16(9-8-15)19-17-10-11-17/h5,7-9,17H,1-4,6,10-14H2
InChIKeyICXOKXLNYXTVIB-UHFFFAOYSA-N
XLogP3.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3-(5-cyclopropyloxycyclohepta-1,4,6-trien-1-yl)propyl]pyrrolidine with MolForge

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

Launch Full Analysis

Related Compounds

1-[(4Z,5Z,7Z)-7-cyclopropyloxy-4-ethylidene-8-fluoroocta-5,7-dienyl]pyrrolidine
CID 166854647
1-[(4Z)-6-chloro-4-[(Z)-3-cyclopropyloxyprop-1-enyl]hepta-4,6-dienyl]pyrrolidine
CID 117975906
1-[(4Z)-4-[(E)-2-chloro-3-cyclopropyloxyprop-1-enyl]hepta-4,6-dienyl]pyrrolidine
CID 118058044
1-[(5Z,7E)-7-butoxy-4-methylidenenona-5,7-dienyl]pyrrolidine
CID 129295757
1-[3-(3,9a-dihydro-2H-cyclohepta[b][1,4]dioxin-7-yl)propyl]pyrrolidine
CID 129295823
1-[(5Z,7Z)-8-chloro-7-ethenoxy-4-methylidenenona-5,7-dienyl]pyrrolidine
CID 134288514
1-[(Z,6E)-6-(1,4-dioxan-2-ylidene)-4-ethenylhex-4-enyl]pyrrolidine
CID 135225329
1-(cyclopropylmethyl)-4-[3-[(3E)-penta-1,3-dien-3-yl]cyclohepta-1,2,4,6-tetraen-1-yl]oxypiperidine
CID 139384049
2-methyl-1-[3-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxypropyl]pyrrolidine
CID 143616553
1-[3-(3,8-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yl)propyl]pyrrolidine
CID 143934864

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-cyclopropyloxycyclohepta-1,4,6-trien-1-yl)propyl]pyrrolidine?
The IUPAC name of 1-[3-(5-cyclopropyloxycyclohepta-1,4,6-trien-1-yl)propyl]pyrrolidine (CID 134288520) is 1-[3-(5-cyclopropyloxycyclohepta-1,4,6-trien-1-yl)propyl]pyrrolidine.
What is the SMILES notation for 1-[3-(5-cyclopropyloxycyclohepta-1,4,6-trien-1-yl)propyl]pyrrolidine?
The canonical SMILES for 1-[3-(5-cyclopropyloxycyclohepta-1,4,6-trien-1-yl)propyl]pyrrolidine is C1=CC(OC2CC2)=CCC=C1CCCN1CCCC1.
What is the InChIKey of 1-[3-(5-cyclopropyloxycyclohepta-1,4,6-trien-1-yl)propyl]pyrrolidine?
The InChIKey is ICXOKXLNYXTVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-2-13-18(12-1)14-4-6-15-5-3-7-16(9-8-15)19-17-10-11-17/h5,7-9,17H,1-4,6,10-14H2.
What are the key properties of 1-[3-(5-cyclopropyloxycyclohepta-1,4,6-trien-1-yl)propyl]pyrrolidine?
1-[3-(5-cyclopropyloxycyclohepta-1,4,6-trien-1-yl)propyl]pyrrolidine has a molecular weight of 259.39 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-cyclopropyloxycyclohepta-1,4,6-trien-1-yl)propyl]pyrrolidine is sourced from PubChem (CID 134288520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).