(NZ)-N-(6,6-dimethyl-3-propyl-5,7-dihydro-1,2-benzoxazol-4-ylidene)hydroxylamine

C12H18N2O2 — CID 5407245

IUPAC(NZ)-N-(6,6-dimethyl-3-propyl-5,7-dihydro-1,2-benzoxazol-4-ylidene)hydroxylamine
SMILESCCCc1noc2c1/C(=N\O)CC(C)(C)C2
InChIInChI=1S/C12H18N2O2/c1-4-5-8-11-9(13-15)6-12(2,3)7-10(11)16-14-8/h15H,4-7H2,1-3H3/b13-9-
InChIKeyVRKGNIMYDDHFFF-LCYFTJDESA-N
MW222.29 g/mol
LogP2.78
Rot. Bonds2

About (NZ)-N-(6,6-dimethyl-3-propyl-5,7-dihydro-1,2-benzoxazol-4-ylidene)hydroxylamine

(NZ)-N-(6,6-dimethyl-3-propyl-5,7-dihydro-1,2-benzoxazol-4-ylidene)hydroxylamine (PubChem CID 5407245) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (NZ)-N-(6,6-dimethyl-3-propyl-5,7-dihydro-1,2-benzoxazol-4-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(6,6-dimethyl-3-propyl-5,7-dihydro-1,2-benzoxazol-4-ylidene)hydroxylamine
PubChem CID5407245
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(NZ)-N-(6,6-dimethyl-3-propyl-5,7-dihydro-1,2-benzoxazol-4-ylidene)hydroxylamine
SMILESCCCc1noc2c1/C(=N\O)CC(C)(C)C2
InChIInChI=1S/C12H18N2O2/c1-4-5-8-11-9(13-15)6-12(2,3)7-10(11)16-14-8/h15H,4-7H2,1-3H3/b13-9-
InChIKeyVRKGNIMYDDHFFF-LCYFTJDESA-N
XLogP2.78
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-6-[2-(ethylthio)propyl]-6,7-dihydro-1,2-benzisoxazol-4(5H)-one oxime
CID 5341925
(NZ)-N-[6-(2-ethylsulfanylpropyl)-3-methyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene]hydroxylamine
CID 5806693
3-Methyl-6,7-dihydro-1,2-benzisoxazol-4(5H)-one
CID 365021
4,5,6,7-Tetrahydro-1,2-benzoxazol-3-ylmethanamine
CID 23006263
3-Propyl-6,7-dihydro-5H-benzo[d]isoxazol-4-one oxime
CID 5407249
(4Z)-6-[2-(ethylsulfanyl)propyl]-N-hydroxy-3-propyl-6,7-dihydro-1,2-benzoxazol-4(5H)-imine
CID 9566997
4,5,6,7-Tetrahydro-1,2-benzoxazole-3-carbaldehyde
CID 14880804
2-[(3,5-Dimethyl-4-isoxazolyl)methyl]cyclohexanone
CID 573494
6,6-Dimethyl-3-propyl-5,7-dihydro-1,2-benzoxazol-4-one
CID 749816
3,6,6-Trimethyl-5,6,7-trihydrobenzo[1,2-c]isoxazol-4-one
CID 792864
3,6,6-Trimethyl-5,6,7-trihydrobenzo[2,1-d]isoxazol-4-one
CID 939993
3-Methyl-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 304261

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(6,6-dimethyl-3-propyl-5,7-dihydro-1,2-benzoxazol-4-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(6,6-dimethyl-3-propyl-5,7-dihydro-1,2-benzoxazol-4-ylidene)hydroxylamine (CID 5407245) is (NZ)-N-(6,6-dimethyl-3-propyl-5,7-dihydro-1,2-benzoxazol-4-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(6,6-dimethyl-3-propyl-5,7-dihydro-1,2-benzoxazol-4-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(6,6-dimethyl-3-propyl-5,7-dihydro-1,2-benzoxazol-4-ylidene)hydroxylamine is CCCc1noc2c1/C(=N\O)CC(C)(C)C2.
What is the InChIKey of (NZ)-N-(6,6-dimethyl-3-propyl-5,7-dihydro-1,2-benzoxazol-4-ylidene)hydroxylamine?
The InChIKey is VRKGNIMYDDHFFF-LCYFTJDESA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-5-8-11-9(13-15)6-12(2,3)7-10(11)16-14-8/h15H,4-7H2,1-3H3/b13-9-.
What are the key properties of (NZ)-N-(6,6-dimethyl-3-propyl-5,7-dihydro-1,2-benzoxazol-4-ylidene)hydroxylamine?
(NZ)-N-(6,6-dimethyl-3-propyl-5,7-dihydro-1,2-benzoxazol-4-ylidene)hydroxylamine has a molecular weight of 222.29 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(6,6-dimethyl-3-propyl-5,7-dihydro-1,2-benzoxazol-4-ylidene)hydroxylamine is sourced from PubChem (CID 5407245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).