3-pentyloxazepine

C10H15NO — CID 67439688

IUPAC3-pentyloxazepine
SMILESCCCCCC1=NOC=CC=C1
InChIInChI=1S/C10H15NO/c1-2-3-4-7-10-8-5-6-9-12-11-10/h5-6,8-9H,2-4,7H2,1H3
InChIKeyPLWQMGIXTHFTAJ-UHFFFAOYSA-N
MW165.24 g/mol
LogP3.02
Rot. Bonds4

About 3-pentyloxazepine

3-pentyloxazepine (PubChem CID 67439688) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-pentyloxazepine.

Molecular Properties

Compound Name3-pentyloxazepine
PubChem CID67439688
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name3-pentyloxazepine
SMILESCCCCCC1=NOC=CC=C1
InChIInChI=1S/C10H15NO/c1-2-3-4-7-10-8-5-6-9-12-11-10/h5-6,8-9H,2-4,7H2,1H3
InChIKeyPLWQMGIXTHFTAJ-UHFFFAOYSA-N
XLogP3.02
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methoxycyclohepta-3,5-dien-1-imine
CID 10011957
N-ethoxycyclohexa-2,4-dien-1-imine
CID 53763905
3,4-Dimethyloxazepine
CID 150339026
7-Methyl-6,7,8,9-tetrahydro-2,1-benzoxazepine
CID 156395497
5-Methyl-2,1-benzoxazepine
CID 170190232
3-Nonyloxazepine
CID 174791758
3-Butyloxazepine
CID 175907696
(E)-2-deuterio-N-methoxycyclohepta-3,5-dien-1-imine
CID 10080467
(Z)-2-deuterio-N-methoxycyclohepta-3,5-dien-1-imine
CID 101632675
3-Prop-2-enyloxazepine
CID 174604142
3,4-Dipentyloxazepine
CID 175176514

Frequently Asked Questions

What is the IUPAC name of 3-pentyloxazepine?
The IUPAC name of 3-pentyloxazepine (CID 67439688) is 3-pentyloxazepine.
What is the SMILES notation for 3-pentyloxazepine?
The canonical SMILES for 3-pentyloxazepine is CCCCCC1=NOC=CC=C1.
What is the InChIKey of 3-pentyloxazepine?
The InChIKey is PLWQMGIXTHFTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-3-4-7-10-8-5-6-9-12-11-10/h5-6,8-9H,2-4,7H2,1H3.
What are the key properties of 3-pentyloxazepine?
3-pentyloxazepine has a molecular weight of 165.24 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyloxazepine is sourced from PubChem (CID 67439688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).