(NE)-N-[(3aR,7aR)-2,3,3a,4,7,7a-hexahydroinden-1-ylidene]hydroxylamine

C9H13NO — CID 15408147

IUPAC(NE)-N-[(3aR,7aR)-2,3,3a,4,7,7a-hexahydroinden-1-ylidene]hydroxylamine
SMILESO/N=C1\CC[C@@H]2CC=CC[C@@H]12
InChIInChI=1S/C9H13NO/c11-10-9-6-5-7-3-1-2-4-8(7)9/h1-2,7-8,11H,3-6H2/b10-9+/t7-,8+/m0/s1
InChIKeyWXBYOTABPGMMTM-KDPFSQANSA-N
MW151.21 g/mol
LogP2.19
Rot. Bonds

About (NE)-N-[(3aR,7aR)-2,3,3a,4,7,7a-hexahydroinden-1-ylidene]hydroxylamine

(NE)-N-[(3aR,7aR)-2,3,3a,4,7,7a-hexahydroinden-1-ylidene]hydroxylamine (PubChem CID 15408147) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (NE)-N-[(3aR,7aR)-2,3,3a,4,7,7a-hexahydroinden-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(3aR,7aR)-2,3,3a,4,7,7a-hexahydroinden-1-ylidene]hydroxylamine
PubChem CID15408147
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(NE)-N-[(3aR,7aR)-2,3,3a,4,7,7a-hexahydroinden-1-ylidene]hydroxylamine
SMILESO/N=C1\CC[C@@H]2CC=CC[C@@H]12
InChIInChI=1S/C9H13NO/c11-10-9-6-5-7-3-1-2-4-8(7)9/h1-2,7-8,11H,3-6H2/b10-9+/t7-,8+/m0/s1
InChIKeyWXBYOTABPGMMTM-KDPFSQANSA-N
XLogP2.19
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (NE)-N-[(3aR,7aR)-2,3,3a,4,7,7a-hexahydroinden-1-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(3aR,7aR)-2,3,3a,4,7,7a-hexahydroinden-1-ylidene]hydroxylamine (CID 15408147) is (NE)-N-[(3aR,7aR)-2,3,3a,4,7,7a-hexahydroinden-1-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(3aR,7aR)-2,3,3a,4,7,7a-hexahydroinden-1-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(3aR,7aR)-2,3,3a,4,7,7a-hexahydroinden-1-ylidene]hydroxylamine is O/N=C1\CC[C@@H]2CC=CC[C@@H]12.
What is the InChIKey of (NE)-N-[(3aR,7aR)-2,3,3a,4,7,7a-hexahydroinden-1-ylidene]hydroxylamine?
The InChIKey is WXBYOTABPGMMTM-KDPFSQANSA-N. The full InChI is InChI=1S/C9H13NO/c11-10-9-6-5-7-3-1-2-4-8(7)9/h1-2,7-8,11H,3-6H2/b10-9+/t7-,8+/m0/s1.
What are the key properties of (NE)-N-[(3aR,7aR)-2,3,3a,4,7,7a-hexahydroinden-1-ylidene]hydroxylamine?
(NE)-N-[(3aR,7aR)-2,3,3a,4,7,7a-hexahydroinden-1-ylidene]hydroxylamine has a molecular weight of 151.21 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(3aR,7aR)-2,3,3a,4,7,7a-hexahydroinden-1-ylidene]hydroxylamine is sourced from PubChem (CID 15408147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).