(NZ)-N-(2-propan-2-yl-2,3-dihydrochromen-4-ylidene)hydroxylamine

C12H15NO2 — CID 166853400

IUPAC(NZ)-N-(2-propan-2-yl-2,3-dihydrochromen-4-ylidene)hydroxylamine
SMILESCC(C)C1C/C(=N/O)c2ccccc2O1
InChIInChI=1S/C12H15NO2/c1-8(2)12-7-10(13-14)9-5-3-4-6-11(9)15-12/h3-6,8,12,14H,7H2,1-2H3/b13-10-
InChIKeyDSAOMWORYCKFAK-RAXLEYEMSA-N
MW205.26 g/mol
LogP2.67
Rot. Bonds1

About (NZ)-N-(2-propan-2-yl-2,3-dihydrochromen-4-ylidene)hydroxylamine

(NZ)-N-(2-propan-2-yl-2,3-dihydrochromen-4-ylidene)hydroxylamine (PubChem CID 166853400) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (NZ)-N-(2-propan-2-yl-2,3-dihydrochromen-4-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(2-propan-2-yl-2,3-dihydrochromen-4-ylidene)hydroxylamine
PubChem CID166853400
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(NZ)-N-(2-propan-2-yl-2,3-dihydrochromen-4-ylidene)hydroxylamine
SMILESCC(C)C1C/C(=N/O)c2ccccc2O1
InChIInChI=1S/C12H15NO2/c1-8(2)12-7-10(13-14)9-5-3-4-6-11(9)15-12/h3-6,8,12,14H,7H2,1-2H3/b13-10-
InChIKeyDSAOMWORYCKFAK-RAXLEYEMSA-N
XLogP2.67
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

ethyl 4-hydroxyimino-2,3-dihydrochromene-2-carboxylate
CID 131869021
(NZ)-N-[(2S)-2-(4-chlorophenyl)-2,3-dihydrochromen-4-ylidene]hydroxylamine
CID 5399086
2-(1-hydroxypropan-2-yl)-2,3-dihydrochromen-4-one
CID 138982918
(2R,4R)-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 130124286
(4Z)-4-hydroxyimino-2-methyl-3H-chromen-2-ol
CID 135249307
(4Z)-4-hydroxyimino-2-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]-2,3-dihydro-1-benzoxepin-5-one
CID 172985978
4-oxo-2-propan-2-yl-2,3-dihydrochromene-5-carboxylic acid
CID 139898999
6-fluoro-2-propan-2-yl-2,3-dihydrochromen-4-one
CID 114672243
(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazine
CID 5468257
methyl 2-(4-oxo-2-propan-2-yl-2,3-dihydrochromen-6-yl)propanoate
CID 21322002
7-methyl-2-propan-2-yl-2,3-dihydrochromen-4-one
CID 585332
N-cyclohexylcyclohexanamine;2-(4-oxo-2-propan-2-yl-2,3-dihydrochromen-6-yl)propanoic acid
CID 161005824

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(2-propan-2-yl-2,3-dihydrochromen-4-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(2-propan-2-yl-2,3-dihydrochromen-4-ylidene)hydroxylamine (CID 166853400) is (NZ)-N-(2-propan-2-yl-2,3-dihydrochromen-4-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(2-propan-2-yl-2,3-dihydrochromen-4-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(2-propan-2-yl-2,3-dihydrochromen-4-ylidene)hydroxylamine is CC(C)C1C/C(=N/O)c2ccccc2O1.
What is the InChIKey of (NZ)-N-(2-propan-2-yl-2,3-dihydrochromen-4-ylidene)hydroxylamine?
The InChIKey is DSAOMWORYCKFAK-RAXLEYEMSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8(2)12-7-10(13-14)9-5-3-4-6-11(9)15-12/h3-6,8,12,14H,7H2,1-2H3/b13-10-.
What are the key properties of (NZ)-N-(2-propan-2-yl-2,3-dihydrochromen-4-ylidene)hydroxylamine?
(NZ)-N-(2-propan-2-yl-2,3-dihydrochromen-4-ylidene)hydroxylamine has a molecular weight of 205.26 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(2-propan-2-yl-2,3-dihydrochromen-4-ylidene)hydroxylamine is sourced from PubChem (CID 166853400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).