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

C9H13NO — CID 18599125

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

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

N-[(3aR,7aS)-1,3,3a,4,7,7a-hexahydroinden-2-ylidene]hydroxylamine (PubChem CID 18599125) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is N-[(3aR,7aS)-1,3,3a,4,7,7a-hexahydroinden-2-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(3aR,7aS)-1,3,3a,4,7,7a-hexahydroinden-2-ylidene]hydroxylamine
PubChem CID18599125
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC NameN-[(3aR,7aS)-1,3,3a,4,7,7a-hexahydroinden-2-ylidene]hydroxylamine
SMILESO/N=C1\C[C@H]2CC=CC[C@H]2C1
InChIInChI=1S/C9H13NO/c11-10-9-5-7-3-1-2-4-8(7)6-9/h1-2,7-8,11H,3-6H2/b10-9-/t7-,8+/m0/s1
InChIKeyMELGDDNFBQIRSF-UFPBWDQISA-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 N-[(3aR,7aS)-1,3,3a,4,7,7a-hexahydroinden-2-ylidene]hydroxylamine?
The IUPAC name of N-[(3aR,7aS)-1,3,3a,4,7,7a-hexahydroinden-2-ylidene]hydroxylamine (CID 18599125) is N-[(3aR,7aS)-1,3,3a,4,7,7a-hexahydroinden-2-ylidene]hydroxylamine.
What is the SMILES notation for N-[(3aR,7aS)-1,3,3a,4,7,7a-hexahydroinden-2-ylidene]hydroxylamine?
The canonical SMILES for N-[(3aR,7aS)-1,3,3a,4,7,7a-hexahydroinden-2-ylidene]hydroxylamine is O/N=C1\C[C@H]2CC=CC[C@H]2C1.
What is the InChIKey of N-[(3aR,7aS)-1,3,3a,4,7,7a-hexahydroinden-2-ylidene]hydroxylamine?
The InChIKey is MELGDDNFBQIRSF-UFPBWDQISA-N. The full InChI is InChI=1S/C9H13NO/c11-10-9-5-7-3-1-2-4-8(7)6-9/h1-2,7-8,11H,3-6H2/b10-9-/t7-,8+/m0/s1.
What are the key properties of N-[(3aR,7aS)-1,3,3a,4,7,7a-hexahydroinden-2-ylidene]hydroxylamine?
N-[(3aR,7aS)-1,3,3a,4,7,7a-hexahydroinden-2-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 N-[(3aR,7aS)-1,3,3a,4,7,7a-hexahydroinden-2-ylidene]hydroxylamine is sourced from PubChem (CID 18599125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).