(4Z)-4-[(5-methyloxolan-2-yl)methylidene]azepane

C12H21NO — CID 103143070

IUPAC(4Z)-4-[(5-methyloxolan-2-yl)methylidene]azepane
SMILESCC1CCC(/C=C2/CCCNCC2)O1
InChIInChI=1S/C12H21NO/c1-10-4-5-12(14-10)9-11-3-2-7-13-8-6-11/h9-10,12-13H,2-8H2,1H3/b11-9-
InChIKeyVZGXZJMOIMBJJN-LUAWRHEFSA-N
MW195.31 g/mol
LogP2.25
Rot. Bonds1

About (4Z)-4-[(5-methyloxolan-2-yl)methylidene]azepane

(4Z)-4-[(5-methyloxolan-2-yl)methylidene]azepane (PubChem CID 103143070) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (4Z)-4-[(5-methyloxolan-2-yl)methylidene]azepane.

Molecular Properties

Compound Name(4Z)-4-[(5-methyloxolan-2-yl)methylidene]azepane
PubChem CID103143070
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(4Z)-4-[(5-methyloxolan-2-yl)methylidene]azepane
SMILESCC1CCC(/C=C2/CCCNCC2)O1
InChIInChI=1S/C12H21NO/c1-10-4-5-12(14-10)9-11-3-2-7-13-8-6-11/h9-10,12-13H,2-8H2,1H3/b11-9-
InChIKeyVZGXZJMOIMBJJN-LUAWRHEFSA-N
XLogP2.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.25
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

(3Z,8E)-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene
CID 144515525
3-[(2E)-2-ethylidenepentoxy]-N-methylbutan-1-amine
CID 146300663
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
N-[(2E)-2-(oxolan-2-ylmethylidene)butyl]cyclopropanamine
CID 82836925
(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-(2-methoxyethyl)-2-(oxolan-2-ylmethylidene)butan-1-amine
CID 82837039
(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

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(5-methyloxolan-2-yl)methylidene]azepane?
The IUPAC name of (4Z)-4-[(5-methyloxolan-2-yl)methylidene]azepane (CID 103143070) is (4Z)-4-[(5-methyloxolan-2-yl)methylidene]azepane.
What is the SMILES notation for (4Z)-4-[(5-methyloxolan-2-yl)methylidene]azepane?
The canonical SMILES for (4Z)-4-[(5-methyloxolan-2-yl)methylidene]azepane is CC1CCC(/C=C2/CCCNCC2)O1.
What is the InChIKey of (4Z)-4-[(5-methyloxolan-2-yl)methylidene]azepane?
The InChIKey is VZGXZJMOIMBJJN-LUAWRHEFSA-N. The full InChI is InChI=1S/C12H21NO/c1-10-4-5-12(14-10)9-11-3-2-7-13-8-6-11/h9-10,12-13H,2-8H2,1H3/b11-9-.
What are the key properties of (4Z)-4-[(5-methyloxolan-2-yl)methylidene]azepane?
(4Z)-4-[(5-methyloxolan-2-yl)methylidene]azepane has a molecular weight of 195.31 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(5-methyloxolan-2-yl)methylidene]azepane is sourced from PubChem (CID 103143070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).