N-(1-methylpyrrolidin-2-ylidene)hydroxylamine

C5H10N2O — CID 91177351

IUPACN-(1-methylpyrrolidin-2-ylidene)hydroxylamine
SMILESCN1CCCC1=NO
InChIInChI=1S/C5H10N2O/c1-7-4-2-3-5(7)6-8/h8H,2-4H2,1H3
InChIKeyIHJNZDBNZSLYCM-UHFFFAOYSA-N
MW114.15 g/mol
LogP0.50
Rot. Bonds

About N-(1-methylpyrrolidin-2-ylidene)hydroxylamine

N-(1-methylpyrrolidin-2-ylidene)hydroxylamine (PubChem CID 91177351) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is N-(1-methylpyrrolidin-2-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(1-methylpyrrolidin-2-ylidene)hydroxylamine
PubChem CID91177351
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC NameN-(1-methylpyrrolidin-2-ylidene)hydroxylamine
SMILESCN1CCCC1=NO
InChIInChI=1S/C5H10N2O/c1-7-4-2-3-5(7)6-8/h8H,2-4H2,1H3
InChIKeyIHJNZDBNZSLYCM-UHFFFAOYSA-N
XLogP0.50
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 50.50
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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Related Compounds

N-(1-methylpyrrolidin-2-ylidene)methanesulfonamide
CID 58158830
1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-2-imine
CID 90654274
1-[(1-methylpiperidin-2-ylidene)amino]ethanamine
CID 174062395
1-methyl-N-[(1-methylazepan-2-ylidene)amino]sulfonylazepan-2-imine
CID 3080000
prop-2-enyl N-(1-methylpyrrolidin-2-ylidene)carbamate
CID 54167556
(NZ)-N-[(3Z)-3-hydroxyimino-1,4-dimethylpiperazin-2-ylidene]hydroxylamine
CID 136628891
(1Z)-1-(1-methylpyrrolidin-2-ylidene)-3-phenylthiourea
CID 88785803
(2R)-3-methyl-2-[(1-methylazepan-2-ylidene)amino]-3-sulfanylbutanoic acid
CID 3064594
(1E)-1-(1-methylpyrrolidin-2-ylidene)-3-pentylurea
CID 15585200
(3E)-1-(2,6-diethylphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea
CID 6445862
(Z)-2-cyano-3-(dimethylamino)-N-(1-methylpyrrolidin-2-ylidene)prop-2-enamide
CID 92643615
ethane;(Z)-(1-methylpyrrolidin-2-ylidene)methanol
CID 142164978

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrrolidin-2-ylidene)hydroxylamine?
The IUPAC name of N-(1-methylpyrrolidin-2-ylidene)hydroxylamine (CID 91177351) is N-(1-methylpyrrolidin-2-ylidene)hydroxylamine.
What is the SMILES notation for N-(1-methylpyrrolidin-2-ylidene)hydroxylamine?
The canonical SMILES for N-(1-methylpyrrolidin-2-ylidene)hydroxylamine is CN1CCCC1=NO.
What is the InChIKey of N-(1-methylpyrrolidin-2-ylidene)hydroxylamine?
The InChIKey is IHJNZDBNZSLYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-7-4-2-3-5(7)6-8/h8H,2-4H2,1H3.
What are the key properties of N-(1-methylpyrrolidin-2-ylidene)hydroxylamine?
N-(1-methylpyrrolidin-2-ylidene)hydroxylamine has a molecular weight of 114.15 g/mol, XLogP of 0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrrolidin-2-ylidene)hydroxylamine is sourced from PubChem (CID 91177351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).