N-(3-methyl-2,3-dihydropyrrolizin-1-ylidene)hydroxylamine

C8H10N2O — CID 130951087

IUPACN-(3-methyl-2,3-dihydropyrrolizin-1-ylidene)hydroxylamine
SMILESCC1CC(=NO)c2cccn21
InChIInChI=1S/C8H10N2O/c1-6-5-7(9-11)8-3-2-4-10(6)8/h2-4,6,11H,5H2,1H3
InChIKeyUCQXSUNHVZLRDG-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.63
Rot. Bonds

About N-(3-methyl-2,3-dihydropyrrolizin-1-ylidene)hydroxylamine

N-(3-methyl-2,3-dihydropyrrolizin-1-ylidene)hydroxylamine (PubChem CID 130951087) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is N-(3-methyl-2,3-dihydropyrrolizin-1-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(3-methyl-2,3-dihydropyrrolizin-1-ylidene)hydroxylamine
PubChem CID130951087
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC NameN-(3-methyl-2,3-dihydropyrrolizin-1-ylidene)hydroxylamine
SMILESCC1CC(=NO)c2cccn21
InChIInChI=1S/C8H10N2O/c1-6-5-7(9-11)8-3-2-4-10(6)8/h2-4,6,11H,5H2,1H3
InChIKeyUCQXSUNHVZLRDG-UHFFFAOYSA-N
XLogP1.63
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.63
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-(3-methyl-2,3-dihydropyrrolizin-1-ylidene)hydroxylamine?
The IUPAC name of N-(3-methyl-2,3-dihydropyrrolizin-1-ylidene)hydroxylamine (CID 130951087) is N-(3-methyl-2,3-dihydropyrrolizin-1-ylidene)hydroxylamine.
What is the SMILES notation for N-(3-methyl-2,3-dihydropyrrolizin-1-ylidene)hydroxylamine?
The canonical SMILES for N-(3-methyl-2,3-dihydropyrrolizin-1-ylidene)hydroxylamine is CC1CC(=NO)c2cccn21.
What is the InChIKey of N-(3-methyl-2,3-dihydropyrrolizin-1-ylidene)hydroxylamine?
The InChIKey is UCQXSUNHVZLRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-6-5-7(9-11)8-3-2-4-10(6)8/h2-4,6,11H,5H2,1H3.
What are the key properties of N-(3-methyl-2,3-dihydropyrrolizin-1-ylidene)hydroxylamine?
N-(3-methyl-2,3-dihydropyrrolizin-1-ylidene)hydroxylamine has a molecular weight of 150.18 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2,3-dihydropyrrolizin-1-ylidene)hydroxylamine is sourced from PubChem (CID 130951087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).