N-[1-[(2R)-1-methylpyrrolidin-2-yl]propan-2-ylidene]hydroxylamine

C8H16N2O — CID 90479592

IUPACN-[1-[(2R)-1-methylpyrrolidin-2-yl]propan-2-ylidene]hydroxylamine
SMILESCC(C[C@H]1CCCN1C)=NO
InChIInChI=1S/C8H16N2O/c1-7(9-11)6-8-4-3-5-10(8)2/h8,11H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyWPRLFRXIPNWBPY-MRVPVSSYSA-N
MW156.23 g/mol
LogP1.32
Rot. Bonds2

About N-[1-[(2R)-1-methylpyrrolidin-2-yl]propan-2-ylidene]hydroxylamine

N-[1-[(2R)-1-methylpyrrolidin-2-yl]propan-2-ylidene]hydroxylamine (PubChem CID 90479592) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N-[1-[(2R)-1-methylpyrrolidin-2-yl]propan-2-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[(2R)-1-methylpyrrolidin-2-yl]propan-2-ylidene]hydroxylamine
PubChem CID90479592
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN-[1-[(2R)-1-methylpyrrolidin-2-yl]propan-2-ylidene]hydroxylamine
SMILESCC(C[C@H]1CCCN1C)=NO
InChIInChI=1S/C8H16N2O/c1-7(9-11)6-8-4-3-5-10(8)2/h8,11H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyWPRLFRXIPNWBPY-MRVPVSSYSA-N
XLogP1.32
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[1-[(2R)-1-methylpyrrolidin-2-yl]propan-2-ylidene]hydroxylamine?
The IUPAC name of N-[1-[(2R)-1-methylpyrrolidin-2-yl]propan-2-ylidene]hydroxylamine (CID 90479592) is N-[1-[(2R)-1-methylpyrrolidin-2-yl]propan-2-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-[(2R)-1-methylpyrrolidin-2-yl]propan-2-ylidene]hydroxylamine?
The canonical SMILES for N-[1-[(2R)-1-methylpyrrolidin-2-yl]propan-2-ylidene]hydroxylamine is CC(C[C@H]1CCCN1C)=NO.
What is the InChIKey of N-[1-[(2R)-1-methylpyrrolidin-2-yl]propan-2-ylidene]hydroxylamine?
The InChIKey is WPRLFRXIPNWBPY-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-7(9-11)6-8-4-3-5-10(8)2/h8,11H,3-6H2,1-2H3/t8-/m1/s1.
What are the key properties of N-[1-[(2R)-1-methylpyrrolidin-2-yl]propan-2-ylidene]hydroxylamine?
N-[1-[(2R)-1-methylpyrrolidin-2-yl]propan-2-ylidene]hydroxylamine has a molecular weight of 156.23 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R)-1-methylpyrrolidin-2-yl]propan-2-ylidene]hydroxylamine is sourced from PubChem (CID 90479592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).