(NE)-N-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine

C10H17NO — CID 7269340

IUPAC(NE)-N-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
SMILESCC1(C)[C@H]2CC[C@]1(C)/C(=N/O)C2
InChIInChI=1S/C10H17NO/c1-9(2)7-4-5-10(9,3)8(6-7)11-12/h7,12H,4-6H2,1-3H3/b11-8+/t7-,10+/m0/s1
InChIKeyOVFDEGGJFJECAT-PFBCTZJRSA-N
MW167.25 g/mol
LogP2.66
Rot. Bonds

About (NE)-N-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine

(NE)-N-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine (PubChem CID 7269340) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (NE)-N-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
PubChem CID7269340
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(NE)-N-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
SMILESCC1(C)[C@H]2CC[C@]1(C)/C(=N/O)C2
InChIInChI=1S/C10H17NO/c1-9(2)7-4-5-10(9,3)8(6-7)11-12/h7,12H,4-6H2,1-3H3/b11-8+/t7-,10+/m0/s1
InChIKeyOVFDEGGJFJECAT-PFBCTZJRSA-N
XLogP2.66
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.66
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-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine (CID 7269340) is (NE)-N-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine is CC1(C)[C@H]2CC[C@]1(C)/C(=N/O)C2.
What is the InChIKey of (NE)-N-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
The InChIKey is OVFDEGGJFJECAT-PFBCTZJRSA-N. The full InChI is InChI=1S/C10H17NO/c1-9(2)7-4-5-10(9,3)8(6-7)11-12/h7,12H,4-6H2,1-3H3/b11-8+/t7-,10+/m0/s1.
What are the key properties of (NE)-N-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
(NE)-N-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine has a molecular weight of 167.25 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine is sourced from PubChem (CID 7269340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).