(NE)-N-[(3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydroinden-4-ylidene]hydroxylamine

C9H15NO — CID 98511830

IUPAC(NE)-N-[(3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydroinden-4-ylidene]hydroxylamine
SMILESO/N=C1\CCC[C@@H]2CCC[C@@H]12
InChIInChI=1S/C9H15NO/c11-10-9-6-2-4-7-3-1-5-8(7)9/h7-8,11H,1-6H2/b10-9+/t7-,8+/m0/s1
InChIKeyQNDSJLBANFUPIE-KDPFSQANSA-N
MW153.22 g/mol
LogP2.42
Rot. Bonds

About (NE)-N-[(3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydroinden-4-ylidene]hydroxylamine

(NE)-N-[(3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydroinden-4-ylidene]hydroxylamine (PubChem CID 98511830) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (NE)-N-[(3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydroinden-4-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydroinden-4-ylidene]hydroxylamine
PubChem CID98511830
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(NE)-N-[(3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydroinden-4-ylidene]hydroxylamine
SMILESO/N=C1\CCC[C@@H]2CCC[C@@H]12
InChIInChI=1S/C9H15NO/c11-10-9-6-2-4-7-3-1-5-8(7)9/h7-8,11H,1-6H2/b10-9+/t7-,8+/m0/s1
InChIKeyQNDSJLBANFUPIE-KDPFSQANSA-N
XLogP2.42
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.42
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-[(3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydroinden-4-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydroinden-4-ylidene]hydroxylamine (CID 98511830) is (NE)-N-[(3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydroinden-4-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydroinden-4-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydroinden-4-ylidene]hydroxylamine is O/N=C1\CCC[C@@H]2CCC[C@@H]12.
What is the InChIKey of (NE)-N-[(3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydroinden-4-ylidene]hydroxylamine?
The InChIKey is QNDSJLBANFUPIE-KDPFSQANSA-N. The full InChI is InChI=1S/C9H15NO/c11-10-9-6-2-4-7-3-1-5-8(7)9/h7-8,11H,1-6H2/b10-9+/t7-,8+/m0/s1.
What are the key properties of (NE)-N-[(3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydroinden-4-ylidene]hydroxylamine?
(NE)-N-[(3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydroinden-4-ylidene]hydroxylamine has a molecular weight of 153.22 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydroinden-4-ylidene]hydroxylamine is sourced from PubChem (CID 98511830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).