(4Z)-4-(oxolan-2-ylmethylidene)azepane

C11H19NO — CID 103983692

IUPAC(4Z)-4-(oxolan-2-ylmethylidene)azepane
SMILESC(=C1/CCCNCC1)\C1CCCO1
InChIInChI=1S/C11H19NO/c1-3-10(5-7-12-6-1)9-11-4-2-8-13-11/h9,11-12H,1-8H2/b10-9-
InChIKeyHZFNTXQGMUNJHQ-KTKRTIGZSA-N
MW181.28 g/mol
LogP1.87
Rot. Bonds1

About (4Z)-4-(oxolan-2-ylmethylidene)azepane

(4Z)-4-(oxolan-2-ylmethylidene)azepane (PubChem CID 103983692) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (4Z)-4-(oxolan-2-ylmethylidene)azepane.

Molecular Properties

Compound Name(4Z)-4-(oxolan-2-ylmethylidene)azepane
PubChem CID103983692
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(4Z)-4-(oxolan-2-ylmethylidene)azepane
SMILESC(=C1/CCCNCC1)\C1CCCO1
InChIInChI=1S/C11H19NO/c1-3-10(5-7-12-6-1)9-11-4-2-8-13-11/h9,11-12H,1-8H2/b10-9-
InChIKeyHZFNTXQGMUNJHQ-KTKRTIGZSA-N
XLogP1.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(Oxolan-2-ylmethylidene)piperidine
CID 79879663
(3E)-3-(oxolan-2-ylmethylidene)piperidine
CID 79880294
(2Z)-2-(oxolan-2-ylmethylidene)-N-propylbutan-1-amine
CID 82836809
(2E)-2-(oxolan-2-ylmethylidene)-N-propan-2-ylbutan-1-amine
CID 82836810
(2E)-N-tert-butyl-2-(oxolan-2-ylmethylidene)butan-1-amine
CID 82836926
(2Z)-N-(2-methylpropyl)-2-(oxolan-2-ylmethylidene)butan-1-amine
CID 82837038
(2Z)-N-ethyl-3-methyl-2-(oxolan-2-ylmethylidene)butan-1-amine
CID 82837152
(2Z)-3-methyl-2-(oxolan-2-ylmethylidene)-N-propylbutan-1-amine
CID 82837258
(2Z)-3-methyl-N-(2-methylpropyl)-2-(oxolan-2-ylmethylidene)butan-1-amine
CID 82837478
(E)-N-ethyl-2-methyl-3-(oxolan-2-yl)prop-2-en-1-amine
CID 82838063
(E)-2-methyl-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine
CID 82838064
(E)-2-methyl-N-(2-methylpropyl)-3-(oxolan-2-yl)prop-2-en-1-amine
CID 82838286

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(oxolan-2-ylmethylidene)azepane?
The IUPAC name of (4Z)-4-(oxolan-2-ylmethylidene)azepane (CID 103983692) is (4Z)-4-(oxolan-2-ylmethylidene)azepane.
What is the SMILES notation for (4Z)-4-(oxolan-2-ylmethylidene)azepane?
The canonical SMILES for (4Z)-4-(oxolan-2-ylmethylidene)azepane is C(=C1/CCCNCC1)\C1CCCO1.
What is the InChIKey of (4Z)-4-(oxolan-2-ylmethylidene)azepane?
The InChIKey is HZFNTXQGMUNJHQ-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-10(5-7-12-6-1)9-11-4-2-8-13-11/h9,11-12H,1-8H2/b10-9-.
What are the key properties of (4Z)-4-(oxolan-2-ylmethylidene)azepane?
(4Z)-4-(oxolan-2-ylmethylidene)azepane has a molecular weight of 181.28 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(oxolan-2-ylmethylidene)azepane is sourced from PubChem (CID 103983692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).