(9Z)-4-methyl-1,7-dioxa-4-azacycloundec-9-ene

C9H17NO2 — CID 22899063

IUPAC(9Z)-4-methyl-1,7-dioxa-4-azacycloundec-9-ene
SMILESCN1CCOC/C=C\COCC1
InChIInChI=1S/C9H17NO2/c1-10-4-8-11-6-2-3-7-12-9-5-10/h2-3H,4-9H2,1H3/b3-2-
InChIKeyZADMLCSZOUNSKM-IHWYPQMZSA-N
MW171.24 g/mol
LogP0.52
Rot. Bonds

About (9Z)-4-methyl-1,7-dioxa-4-azacycloundec-9-ene

(9Z)-4-methyl-1,7-dioxa-4-azacycloundec-9-ene (PubChem CID 22899063) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (9Z)-4-methyl-1,7-dioxa-4-azacycloundec-9-ene.

Molecular Properties

Compound Name(9Z)-4-methyl-1,7-dioxa-4-azacycloundec-9-ene
PubChem CID22899063
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(9Z)-4-methyl-1,7-dioxa-4-azacycloundec-9-ene
SMILESCN1CCOC/C=C\COCC1
InChIInChI=1S/C9H17NO2/c1-10-4-8-11-6-2-3-7-12-9-5-10/h2-3H,4-9H2,1H3/b3-2-
InChIKeyZADMLCSZOUNSKM-IHWYPQMZSA-N
XLogP0.52
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (9Z)-4-methyl-1,7-dioxa-4-azacycloundec-9-ene?
The IUPAC name of (9Z)-4-methyl-1,7-dioxa-4-azacycloundec-9-ene (CID 22899063) is (9Z)-4-methyl-1,7-dioxa-4-azacycloundec-9-ene.
What is the SMILES notation for (9Z)-4-methyl-1,7-dioxa-4-azacycloundec-9-ene?
The canonical SMILES for (9Z)-4-methyl-1,7-dioxa-4-azacycloundec-9-ene is CN1CCOC/C=C\COCC1.
What is the InChIKey of (9Z)-4-methyl-1,7-dioxa-4-azacycloundec-9-ene?
The InChIKey is ZADMLCSZOUNSKM-IHWYPQMZSA-N. The full InChI is InChI=1S/C9H17NO2/c1-10-4-8-11-6-2-3-7-12-9-5-10/h2-3H,4-9H2,1H3/b3-2-.
What are the key properties of (9Z)-4-methyl-1,7-dioxa-4-azacycloundec-9-ene?
(9Z)-4-methyl-1,7-dioxa-4-azacycloundec-9-ene has a molecular weight of 171.24 g/mol, XLogP of 0.52, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-4-methyl-1,7-dioxa-4-azacycloundec-9-ene is sourced from PubChem (CID 22899063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).