N-[(1R,3S)-5-chloro-2-adamantylidene]hydroxylamine

C10H14ClNO — CID 55278265

IUPACN-[(1R,3S)-5-chloro-2-adamantylidene]hydroxylamine
SMILESO/N=C1\[C@@H]2CC3C[C@H]1CC(Cl)(C3)C2
InChIInChI=1S/C10H14ClNO/c11-10-3-6-1-7(4-10)9(12-13)8(2-6)5-10/h6-8,13H,1-5H2/b12-9-/t6?,7-,8+,10?/m0/s1
InChIKeyBJWBCUUPRKHFDD-OLXBZABPSA-N
MW199.68 g/mol
LogP2.63
Rot. Bonds

About N-[(1R,3S)-5-chloro-2-adamantylidene]hydroxylamine

N-[(1R,3S)-5-chloro-2-adamantylidene]hydroxylamine (PubChem CID 55278265) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is N-[(1R,3S)-5-chloro-2-adamantylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(1R,3S)-5-chloro-2-adamantylidene]hydroxylamine
PubChem CID55278265
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC NameN-[(1R,3S)-5-chloro-2-adamantylidene]hydroxylamine
SMILESO/N=C1\[C@@H]2CC3C[C@H]1CC(Cl)(C3)C2
InChIInChI=1S/C10H14ClNO/c11-10-3-6-1-7(4-10)9(12-13)8(2-6)5-10/h6-8,13H,1-5H2/b12-9-/t6?,7-,8+,10?/m0/s1
InChIKeyBJWBCUUPRKHFDD-OLXBZABPSA-N
XLogP2.63
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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 N-[(1R,3S)-5-chloro-2-adamantylidene]hydroxylamine?
The IUPAC name of N-[(1R,3S)-5-chloro-2-adamantylidene]hydroxylamine (CID 55278265) is N-[(1R,3S)-5-chloro-2-adamantylidene]hydroxylamine.
What is the SMILES notation for N-[(1R,3S)-5-chloro-2-adamantylidene]hydroxylamine?
The canonical SMILES for N-[(1R,3S)-5-chloro-2-adamantylidene]hydroxylamine is O/N=C1\[C@@H]2CC3C[C@H]1CC(Cl)(C3)C2.
What is the InChIKey of N-[(1R,3S)-5-chloro-2-adamantylidene]hydroxylamine?
The InChIKey is BJWBCUUPRKHFDD-OLXBZABPSA-N. The full InChI is InChI=1S/C10H14ClNO/c11-10-3-6-1-7(4-10)9(12-13)8(2-6)5-10/h6-8,13H,1-5H2/b12-9-/t6?,7-,8+,10?/m0/s1.
What are the key properties of N-[(1R,3S)-5-chloro-2-adamantylidene]hydroxylamine?
N-[(1R,3S)-5-chloro-2-adamantylidene]hydroxylamine has a molecular weight of 199.68 g/mol, XLogP of 2.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-5-chloro-2-adamantylidene]hydroxylamine is sourced from PubChem (CID 55278265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).