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

C10H14N2O2 — CID 5407249

IUPAC(NZ)-N-(3-propyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine
SMILESCCCc1noc2c1/C(=N\O)CCC2
InChIInChI=1S/C10H14N2O2/c1-2-4-8-10-7(11-13)5-3-6-9(10)14-12-8/h13H,2-6H2,1H3/b11-7-
InChIKeyVHGZNFIFFJMVTP-XFFZJAGNSA-N
MW194.23 g/mol
LogP2.14
Rot. Bonds2

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

(NZ)-N-(3-propyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine (PubChem CID 5407249) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (NZ)-N-(3-propyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(3-propyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine
PubChem CID5407249
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(NZ)-N-(3-propyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine
SMILESCCCc1noc2c1/C(=N\O)CCC2
InChIInChI=1S/C10H14N2O2/c1-2-4-8-10-7(11-13)5-3-6-9(10)14-12-8/h13H,2-6H2,1H3/b11-7-
InChIKeyVHGZNFIFFJMVTP-XFFZJAGNSA-N
XLogP2.14
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.14
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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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(3-propyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(3-propyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine (CID 5407249) is (NZ)-N-(3-propyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(3-propyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(3-propyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine is CCCc1noc2c1/C(=N\O)CCC2.
What is the InChIKey of (NZ)-N-(3-propyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine?
The InChIKey is VHGZNFIFFJMVTP-XFFZJAGNSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-2-4-8-10-7(11-13)5-3-6-9(10)14-12-8/h13H,2-6H2,1H3/b11-7-.
What are the key properties of (NZ)-N-(3-propyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine?
(NZ)-N-(3-propyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine has a molecular weight of 194.23 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(3-propyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine is sourced from PubChem (CID 5407249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).