(NE)-N-[(1R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enylidene]hydroxylamine

C10H15NO — CID 15214849

IUPAC(NE)-N-[(1R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enylidene]hydroxylamine
SMILESCC1=C/C(=N\O)[C@@H]2C[C@H]1C2(C)C
InChIInChI=1S/C10H15NO/c1-6-4-9(11-12)8-5-7(6)10(8,2)3/h4,7-8,12H,5H2,1-3H3/b11-9+/t7-,8+/m1/s1
InChIKeyIFBAKUPBWQPNSL-FEORRWSDSA-N
MW165.24 g/mol
LogP2.44
Rot. Bonds

About (NE)-N-[(1R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enylidene]hydroxylamine

(NE)-N-[(1R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enylidene]hydroxylamine (PubChem CID 15214849) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (NE)-N-[(1R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(1R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enylidene]hydroxylamine
PubChem CID15214849
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(NE)-N-[(1R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enylidene]hydroxylamine
SMILESCC1=C/C(=N\O)[C@@H]2C[C@H]1C2(C)C
InChIInChI=1S/C10H15NO/c1-6-4-9(11-12)8-5-7(6)10(8,2)3/h4,7-8,12H,5H2,1-3H3/b11-9+/t7-,8+/m1/s1
InChIKeyIFBAKUPBWQPNSL-FEORRWSDSA-N
XLogP2.44
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.44
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'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(1R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(1R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enylidene]hydroxylamine (CID 15214849) is (NE)-N-[(1R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(1R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(1R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enylidene]hydroxylamine is CC1=C/C(=N\O)[C@@H]2C[C@H]1C2(C)C.
What is the InChIKey of (NE)-N-[(1R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enylidene]hydroxylamine?
The InChIKey is IFBAKUPBWQPNSL-FEORRWSDSA-N. The full InChI is InChI=1S/C10H15NO/c1-6-4-9(11-12)8-5-7(6)10(8,2)3/h4,7-8,12H,5H2,1-3H3/b11-9+/t7-,8+/m1/s1.
What are the key properties of (NE)-N-[(1R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enylidene]hydroxylamine?
(NE)-N-[(1R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enylidene]hydroxylamine has a molecular weight of 165.24 g/mol, XLogP of 2.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(1R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enylidene]hydroxylamine is sourced from PubChem (CID 15214849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).