(4Z)-4-[3-(oxolan-2-yl)propylidene]azepane

C13H23NO — CID 103983622

IUPAC(4Z)-4-[3-(oxolan-2-yl)propylidene]azepane
SMILESC(\CCC1CCCO1)=C1/CCCNCC1
InChIInChI=1S/C13H23NO/c1(6-13-7-3-11-15-13)4-12-5-2-9-14-10-8-12/h4,13-14H,1-3,5-11H2/b12-4-
InChIKeyFJEDGHZDBYFPFT-QCDXTXTGSA-N
MW209.33 g/mol
LogP2.65
Rot. Bonds3

About (4Z)-4-[3-(oxolan-2-yl)propylidene]azepane

(4Z)-4-[3-(oxolan-2-yl)propylidene]azepane (PubChem CID 103983622) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (4Z)-4-[3-(oxolan-2-yl)propylidene]azepane.

Molecular Properties

Compound Name(4Z)-4-[3-(oxolan-2-yl)propylidene]azepane
PubChem CID103983622
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(4Z)-4-[3-(oxolan-2-yl)propylidene]azepane
SMILESC(\CCC1CCCO1)=C1/CCCNCC1
InChIInChI=1S/C13H23NO/c1(6-13-7-3-11-15-13)4-12-5-2-9-14-10-8-12/h4,13-14H,1-3,5-11H2/b12-4-
InChIKeyFJEDGHZDBYFPFT-QCDXTXTGSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[3-(oxolan-2-yl)propylidene]azepane?
The IUPAC name of (4Z)-4-[3-(oxolan-2-yl)propylidene]azepane (CID 103983622) is (4Z)-4-[3-(oxolan-2-yl)propylidene]azepane.
What is the SMILES notation for (4Z)-4-[3-(oxolan-2-yl)propylidene]azepane?
The canonical SMILES for (4Z)-4-[3-(oxolan-2-yl)propylidene]azepane is C(\CCC1CCCO1)=C1/CCCNCC1.
What is the InChIKey of (4Z)-4-[3-(oxolan-2-yl)propylidene]azepane?
The InChIKey is FJEDGHZDBYFPFT-QCDXTXTGSA-N. The full InChI is InChI=1S/C13H23NO/c1(6-13-7-3-11-15-13)4-12-5-2-9-14-10-8-12/h4,13-14H,1-3,5-11H2/b12-4-.
What are the key properties of (4Z)-4-[3-(oxolan-2-yl)propylidene]azepane?
(4Z)-4-[3-(oxolan-2-yl)propylidene]azepane has a molecular weight of 209.33 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[3-(oxolan-2-yl)propylidene]azepane is sourced from PubChem (CID 103983622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).