N'-(1-hydroxyethyl)-1-methylpyrrolidine-3-carbohydrazide

C8H17N3O2 — CID 91110236

IUPACN'-(1-hydroxyethyl)-1-methylpyrrolidine-3-carbohydrazide
SMILESCC(O)NNC(=O)C1CCN(C)C1
InChIInChI=1S/C8H17N3O2/c1-6(12)9-10-8(13)7-3-4-11(2)5-7/h6-7,9,12H,3-5H2,1-2H3,(H,10,13)
InChIKeyAJOGRSDSAFLBGU-UHFFFAOYSA-N
MW187.24 g/mol
LogP-1.10
Rot. Bonds3

About N'-(1-hydroxyethyl)-1-methylpyrrolidine-3-carbohydrazide

N'-(1-hydroxyethyl)-1-methylpyrrolidine-3-carbohydrazide (PubChem CID 91110236) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is N'-(1-hydroxyethyl)-1-methylpyrrolidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(1-hydroxyethyl)-1-methylpyrrolidine-3-carbohydrazide
PubChem CID91110236
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC NameN'-(1-hydroxyethyl)-1-methylpyrrolidine-3-carbohydrazide
SMILESCC(O)NNC(=O)C1CCN(C)C1
InChIInChI=1S/C8H17N3O2/c1-6(12)9-10-8(13)7-3-4-11(2)5-7/h6-7,9,12H,3-5H2,1-2H3,(H,10,13)
InChIKeyAJOGRSDSAFLBGU-UHFFFAOYSA-N
XLogP-1.10
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1-hydroxypropan-2-yl]-1-methylpyrrolidine-3-carboxamide
CID 131154627
N-[(2R)-1-aminopropan-2-yl]-1-methylpyrrolidine-3-carboxamide
CID 104877076
(2R)-3-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 79010718
2-methyl-4-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 80539207
tert-butyl (2R)-3-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]butanoate
CID 81003648
3-methyl-2-[[(1-methylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid
CID 65219948
3-amino-2-methyl-1-(1-methylpyrrolidin-3-yl)propan-1-one
CID 116915570
N-(1-amino-2,3-dimethylbutan-2-yl)-1-methylpyrrolidine-3-carboxamide
CID 115310482
(2R)-2-[(1-methylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 107562789
1-methyl-N-[2-(methylamino)ethyl]pyrrolidine-3-carboxamide
CID 62656990
N,1-dimethylpiperidine-4-carboxamide;ethane
CID 156719814
N-[2-(dimethylamino)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110849594

Frequently Asked Questions

What is the IUPAC name of N'-(1-hydroxyethyl)-1-methylpyrrolidine-3-carbohydrazide?
The IUPAC name of N'-(1-hydroxyethyl)-1-methylpyrrolidine-3-carbohydrazide (CID 91110236) is N'-(1-hydroxyethyl)-1-methylpyrrolidine-3-carbohydrazide.
What is the SMILES notation for N'-(1-hydroxyethyl)-1-methylpyrrolidine-3-carbohydrazide?
The canonical SMILES for N'-(1-hydroxyethyl)-1-methylpyrrolidine-3-carbohydrazide is CC(O)NNC(=O)C1CCN(C)C1.
What is the InChIKey of N'-(1-hydroxyethyl)-1-methylpyrrolidine-3-carbohydrazide?
The InChIKey is AJOGRSDSAFLBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-6(12)9-10-8(13)7-3-4-11(2)5-7/h6-7,9,12H,3-5H2,1-2H3,(H,10,13).
What are the key properties of N'-(1-hydroxyethyl)-1-methylpyrrolidine-3-carbohydrazide?
N'-(1-hydroxyethyl)-1-methylpyrrolidine-3-carbohydrazide has a molecular weight of 187.24 g/mol, XLogP of -1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-hydroxyethyl)-1-methylpyrrolidine-3-carbohydrazide is sourced from PubChem (CID 91110236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).