(NE)-N-[(4E,7Z)-4-methyl-6-methylidenenona-4,7-dien-3-ylidene]hydroxylamine

C11H17NO — CID 89307445

IUPAC(NE)-N-[(4E,7Z)-4-methyl-6-methylidenenona-4,7-dien-3-ylidene]hydroxylamine
SMILESC=C(/C=C\C)/C=C(C)/C(CC)=N/O
InChIInChI=1S/C11H17NO/c1-5-7-9(3)8-10(4)11(6-2)12-13/h5,7-8,13H,3,6H2,1-2,4H3/b7-5-,10-8+,12-11+
InChIKeyYXKTWFXQQRVNRC-QRGLPQAOSA-N
MW179.26 g/mol
LogP3.31
Rot. Bonds4

About (NE)-N-[(4E,7Z)-4-methyl-6-methylidenenona-4,7-dien-3-ylidene]hydroxylamine

(NE)-N-[(4E,7Z)-4-methyl-6-methylidenenona-4,7-dien-3-ylidene]hydroxylamine (PubChem CID 89307445) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (NE)-N-[(4E,7Z)-4-methyl-6-methylidenenona-4,7-dien-3-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(4E,7Z)-4-methyl-6-methylidenenona-4,7-dien-3-ylidene]hydroxylamine
PubChem CID89307445
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(NE)-N-[(4E,7Z)-4-methyl-6-methylidenenona-4,7-dien-3-ylidene]hydroxylamine
SMILESC=C(/C=C\C)/C=C(C)/C(CC)=N/O
InChIInChI=1S/C11H17NO/c1-5-7-9(3)8-10(4)11(6-2)12-13/h5,7-8,13H,3,6H2,1-2,4H3/b7-5-,10-8+,12-11+
InChIKeyYXKTWFXQQRVNRC-QRGLPQAOSA-N
XLogP3.31
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(4E,7Z)-4-methyl-6-methylidenenona-4,7-dien-3-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(4E,7Z)-4-methyl-6-methylidenenona-4,7-dien-3-ylidene]hydroxylamine (CID 89307445) is (NE)-N-[(4E,7Z)-4-methyl-6-methylidenenona-4,7-dien-3-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(4E,7Z)-4-methyl-6-methylidenenona-4,7-dien-3-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(4E,7Z)-4-methyl-6-methylidenenona-4,7-dien-3-ylidene]hydroxylamine is C=C(/C=C\C)/C=C(C)/C(CC)=N/O.
What is the InChIKey of (NE)-N-[(4E,7Z)-4-methyl-6-methylidenenona-4,7-dien-3-ylidene]hydroxylamine?
The InChIKey is YXKTWFXQQRVNRC-QRGLPQAOSA-N. The full InChI is InChI=1S/C11H17NO/c1-5-7-9(3)8-10(4)11(6-2)12-13/h5,7-8,13H,3,6H2,1-2,4H3/b7-5-,10-8+,12-11+.
What are the key properties of (NE)-N-[(4E,7Z)-4-methyl-6-methylidenenona-4,7-dien-3-ylidene]hydroxylamine?
(NE)-N-[(4E,7Z)-4-methyl-6-methylidenenona-4,7-dien-3-ylidene]hydroxylamine has a molecular weight of 179.26 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(4E,7Z)-4-methyl-6-methylidenenona-4,7-dien-3-ylidene]hydroxylamine is sourced from PubChem (CID 89307445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).