azane;2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;(NE)-N-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)hydroxylamine;molecular hydrogen

C20H34N2O2 — CID 172962853

IUPACazane;2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;(NE)-N-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)hydroxylamine;molecular hydrogen
SMILESC=C(C)C1CC=C(C)/C(=N/O)C1.C=C(C)C1CC=C(C)C(=O)C1.N.[H][H]
InChIInChI=1S/C10H15NO.C10H14O.H3N.H2/c1-7(2)9-5-4-8(3)10(6-9)11-12;1-7(2)9-5-4-8(3)10(11)6-9;;/h4,9,12H,1,5-6H2,2-3H3;4,9H,1,5-6H2,2-3H3;1H3;1H/b11-10+;;;
InChIKeyQOUINQLGSDCTLJ-QFVIODRTSA-N
MW334.50 g/mol
LogP5.64
Rot. Bonds2

About azane;2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;(NE)-N-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)hydroxylamine;molecular hydrogen

azane;2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;(NE)-N-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)hydroxylamine;molecular hydrogen (PubChem CID 172962853) has the molecular formula C20H34N2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is azane;2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;(NE)-N-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)hydroxylamine;molecular hydrogen.

Molecular Properties

Compound Nameazane;2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;(NE)-N-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)hydroxylamine;molecular hydrogen
PubChem CID172962853
Molecular FormulaC20H34N2O2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC Nameazane;2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;(NE)-N-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)hydroxylamine;molecular hydrogen
SMILESC=C(C)C1CC=C(C)/C(=N/O)C1.C=C(C)C1CC=C(C)C(=O)C1.N.[H][H]
InChIInChI=1S/C10H15NO.C10H14O.H3N.H2/c1-7(2)9-5-4-8(3)10(6-9)11-12;1-7(2)9-5-4-8(3)10(11)6-9;;/h4,9,12H,1,5-6H2,2-3H3;4,9H,1,5-6H2,2-3H3;1H3;1H/b11-10+;;;
InChIKeyQOUINQLGSDCTLJ-QFVIODRTSA-N
XLogP5.64
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.50
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 azane;2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;(NE)-N-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)hydroxylamine;molecular hydrogen?
The IUPAC name of azane;2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;(NE)-N-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)hydroxylamine;molecular hydrogen (CID 172962853) is azane;2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;(NE)-N-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)hydroxylamine;molecular hydrogen.
What is the SMILES notation for azane;2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;(NE)-N-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)hydroxylamine;molecular hydrogen?
The canonical SMILES for azane;2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;(NE)-N-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)hydroxylamine;molecular hydrogen is C=C(C)C1CC=C(C)/C(=N/O)C1.C=C(C)C1CC=C(C)C(=O)C1.N.[H][H].
What is the InChIKey of azane;2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;(NE)-N-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)hydroxylamine;molecular hydrogen?
The InChIKey is QOUINQLGSDCTLJ-QFVIODRTSA-N. The full InChI is InChI=1S/C10H15NO.C10H14O.H3N.H2/c1-7(2)9-5-4-8(3)10(6-9)11-12;1-7(2)9-5-4-8(3)10(11)6-9;;/h4,9,12H,1,5-6H2,2-3H3;4,9H,1,5-6H2,2-3H3;1H3;1H/b11-10+;;;.
What are the key properties of azane;2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;(NE)-N-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)hydroxylamine;molecular hydrogen?
azane;2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;(NE)-N-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)hydroxylamine;molecular hydrogen has a molecular weight of 334.50 g/mol, XLogP of 5.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;(NE)-N-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)hydroxylamine;molecular hydrogen is sourced from PubChem (CID 172962853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).