(4Z)-4-[2-(oxolan-2-yl)ethylidene]azepane

C12H21NO — CID 103983734

IUPAC(4Z)-4-[2-(oxolan-2-yl)ethylidene]azepane
SMILESC(\CC1CCCO1)=C1/CCCNCC1
InChIInChI=1S/C12H21NO/c1-3-11(7-9-13-8-1)5-6-12-4-2-10-14-12/h5,12-13H,1-4,6-10H2/b11-5-
InChIKeyCWPIVCGCZVSYFN-WZUFQYTHSA-N
MW195.31 g/mol
LogP2.26
Rot. Bonds2

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

(4Z)-4-[2-(oxolan-2-yl)ethylidene]azepane (PubChem CID 103983734) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (4Z)-4-[2-(oxolan-2-yl)ethylidene]azepane.

Molecular Properties

Compound Name(4Z)-4-[2-(oxolan-2-yl)ethylidene]azepane
PubChem CID103983734
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(4Z)-4-[2-(oxolan-2-yl)ethylidene]azepane
SMILESC(\CC1CCCO1)=C1/CCCNCC1
InChIInChI=1S/C12H21NO/c1-3-11(7-9-13-8-1)5-6-12-4-2-10-14-12/h5,12-13H,1-4,6-10H2/b11-5-
InChIKeyCWPIVCGCZVSYFN-WZUFQYTHSA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.26
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-[2-(oxolan-2-yl)ethylidene]azepane?
The IUPAC name of (4Z)-4-[2-(oxolan-2-yl)ethylidene]azepane (CID 103983734) is (4Z)-4-[2-(oxolan-2-yl)ethylidene]azepane.
What is the SMILES notation for (4Z)-4-[2-(oxolan-2-yl)ethylidene]azepane?
The canonical SMILES for (4Z)-4-[2-(oxolan-2-yl)ethylidene]azepane is C(\CC1CCCO1)=C1/CCCNCC1.
What is the InChIKey of (4Z)-4-[2-(oxolan-2-yl)ethylidene]azepane?
The InChIKey is CWPIVCGCZVSYFN-WZUFQYTHSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-11(7-9-13-8-1)5-6-12-4-2-10-14-12/h5,12-13H,1-4,6-10H2/b11-5-.
What are the key properties of (4Z)-4-[2-(oxolan-2-yl)ethylidene]azepane?
(4Z)-4-[2-(oxolan-2-yl)ethylidene]azepane has a molecular weight of 195.31 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[2-(oxolan-2-yl)ethylidene]azepane is sourced from PubChem (CID 103983734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).