N-[(3R)-3-methylcyclopentylidene]hydroxylamine

C6H11NO — CID 140972581

IUPACN-[(3R)-3-methylcyclopentylidene]hydroxylamine
SMILESC[C@@H]1CCC(=NO)C1
InChIInChI=1S/C6H11NO/c1-5-2-3-6(4-5)7-8/h5,8H,2-4H2,1H3/t5-/m1/s1
InChIKeyPFIZVFHOOYWMLL-RXMQYKEDSA-N
MW113.16 g/mol
LogP1.64
Rot. Bonds

About N-[(3R)-3-methylcyclopentylidene]hydroxylamine

N-[(3R)-3-methylcyclopentylidene]hydroxylamine (PubChem CID 140972581) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is N-[(3R)-3-methylcyclopentylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(3R)-3-methylcyclopentylidene]hydroxylamine
PubChem CID140972581
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC NameN-[(3R)-3-methylcyclopentylidene]hydroxylamine
SMILESC[C@@H]1CCC(=NO)C1
InChIInChI=1S/C6H11NO/c1-5-2-3-6(4-5)7-8/h5,8H,2-4H2,1H3/t5-/m1/s1
InChIKeyPFIZVFHOOYWMLL-RXMQYKEDSA-N
XLogP1.64
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.64
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 N-[(3R)-3-methylcyclopentylidene]hydroxylamine?
The IUPAC name of N-[(3R)-3-methylcyclopentylidene]hydroxylamine (CID 140972581) is N-[(3R)-3-methylcyclopentylidene]hydroxylamine.
What is the SMILES notation for N-[(3R)-3-methylcyclopentylidene]hydroxylamine?
The canonical SMILES for N-[(3R)-3-methylcyclopentylidene]hydroxylamine is C[C@@H]1CCC(=NO)C1.
What is the InChIKey of N-[(3R)-3-methylcyclopentylidene]hydroxylamine?
The InChIKey is PFIZVFHOOYWMLL-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H11NO/c1-5-2-3-6(4-5)7-8/h5,8H,2-4H2,1H3/t5-/m1/s1.
What are the key properties of N-[(3R)-3-methylcyclopentylidene]hydroxylamine?
N-[(3R)-3-methylcyclopentylidene]hydroxylamine has a molecular weight of 113.16 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-methylcyclopentylidene]hydroxylamine is sourced from PubChem (CID 140972581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).