1-[3-(3,8-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yl)propyl]pyrrolidine

C16H23NO2 — CID 143934864

IUPAC1-[3-(3,8-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yl)propyl]pyrrolidine
SMILESC1=C(CCCN2CCCC2)C=C2OCCOC2=CC1
InChIInChI=1S/C16H23NO2/c1-2-9-17(8-1)10-4-6-14-5-3-7-15-16(13-14)19-12-11-18-15/h5,7,13H,1-4,6,8-12H2
InChIKeyQTHPTDUFUQHLMX-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.01
Rot. Bonds4

About 1-[3-(3,8-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yl)propyl]pyrrolidine

1-[3-(3,8-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yl)propyl]pyrrolidine (PubChem CID 143934864) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[3-(3,8-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yl)propyl]pyrrolidine.

Molecular Properties

Compound Name1-[3-(3,8-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yl)propyl]pyrrolidine
PubChem CID143934864
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-[3-(3,8-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yl)propyl]pyrrolidine
SMILESC1=C(CCCN2CCCC2)C=C2OCCOC2=CC1
InChIInChI=1S/C16H23NO2/c1-2-9-17(8-1)10-4-6-14-5-3-7-15-16(13-14)19-12-11-18-15/h5,7,13H,1-4,6,8-12H2
InChIKeyQTHPTDUFUQHLMX-UHFFFAOYSA-N
XLogP3.01
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[4-Methoxy-5-(1,2,2-trifluoroethoxy)cyclohexa-1,5-dien-1-yl]propyl]pyrrolidine
CID 143865873
1-[(Z)-4-[(E)-[(3Z)-3-(fluoromethylidene)-1,4-dioxan-2-ylidene]methyl]hex-4-enyl]pyrrolidine
CID 144839997
1-[(E,6E)-6-(1,4-dioxan-2-ylidene)-4-ethylhex-4-enyl]pyrrolidine
CID 88234278
1-[3-(2,3,4a,5-Tetrahydro-1,4-benzodioxin-7-yl)propyl]pyrrolidine
CID 91256654
1-[4-[(E)-[(3E)-3-ethylidene-1,4-dioxan-2-ylidene]methyl]pent-4-enyl]piperidine
CID 129295706
1-[(5Z,7E)-7-butoxy-4-methylidenenona-5,7-dienyl]pyrrolidine
CID 129295757
1-[(Z)-4-[(E)-(3-methylidene-1,4-dioxan-2-ylidene)methyl]hex-4-enyl]pyrrolidine
CID 129295807
1-[3-(3,9a-dihydro-2H-cyclohepta[b][1,4]dioxin-7-yl)propyl]pyrrolidine
CID 129295823
1-[3-(3,6-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yl)propyl]pyrrolidine
CID 129296018
1-[(E,6E)-6-(1,4-dioxan-2-ylidene)-4-methylhex-4-enyl]pyrrolidine
CID 132152356
1-[3-(5-Cyclopropyloxycyclohepta-1,4,6-trien-1-yl)propyl]pyrrolidine
CID 134288520
1-[(Z,6E)-6-(1,4-dioxan-2-ylidene)-4-ethenylhex-4-enyl]pyrrolidine
CID 135225329

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,8-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yl)propyl]pyrrolidine?
The IUPAC name of 1-[3-(3,8-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yl)propyl]pyrrolidine (CID 143934864) is 1-[3-(3,8-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yl)propyl]pyrrolidine.
What is the SMILES notation for 1-[3-(3,8-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yl)propyl]pyrrolidine?
The canonical SMILES for 1-[3-(3,8-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yl)propyl]pyrrolidine is C1=C(CCCN2CCCC2)C=C2OCCOC2=CC1.
What is the InChIKey of 1-[3-(3,8-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yl)propyl]pyrrolidine?
The InChIKey is QTHPTDUFUQHLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-9-17(8-1)10-4-6-14-5-3-7-15-16(13-14)19-12-11-18-15/h5,7,13H,1-4,6,8-12H2.
What are the key properties of 1-[3-(3,8-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yl)propyl]pyrrolidine?
1-[3-(3,8-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yl)propyl]pyrrolidine has a molecular weight of 261.37 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,8-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yl)propyl]pyrrolidine is sourced from PubChem (CID 143934864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).