2-[(dimethylamino)methyl]pyrrolidine-1-carbohydrazide

C8H18N4O — CID 62887688

IUPAC2-[(dimethylamino)methyl]pyrrolidine-1-carbohydrazide
SMILESCN(C)CC1CCCN1C(=O)NN
InChIInChI=1S/C8H18N4O/c1-11(2)6-7-4-3-5-12(7)8(13)10-9/h7H,3-6,9H2,1-2H3,(H,10,13)
InChIKeyYDENEKDOTGJAAX-UHFFFAOYSA-N
MW186.26 g/mol
LogP-0.40
Rot. Bonds2

About 2-[(dimethylamino)methyl]pyrrolidine-1-carbohydrazide

2-[(dimethylamino)methyl]pyrrolidine-1-carbohydrazide (PubChem CID 62887688) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]pyrrolidine-1-carbohydrazide.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]pyrrolidine-1-carbohydrazide
PubChem CID62887688
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC Name2-[(dimethylamino)methyl]pyrrolidine-1-carbohydrazide
SMILESCN(C)CC1CCCN1C(=O)NN
InChIInChI=1S/C8H18N4O/c1-11(2)6-7-4-3-5-12(7)8(13)10-9/h7H,3-6,9H2,1-2H3,(H,10,13)
InChIKeyYDENEKDOTGJAAX-UHFFFAOYSA-N
XLogP-0.40
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-oxoacetic acid
CID 62888059
2-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]-2-methylpropanoic acid
CID 55128241
4-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]-4-oxobutanoic acid
CID 62889344
4-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]-4-oxobut-2-enoic acid
CID 76975859
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-1-one
CID 63090742
(2S)-2-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]-3-hydroxypropanoic acid
CID 62889558
(2R)-2-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]-3-hydroxypropanoic acid
CID 80757005
3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 115428765
2-ethylazepane-1-carbohydrazide
CID 104691127
2-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 62887648
2-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]-4-hydroxybutanoic acid
CID 55128193
3-cyclopropyl-3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]propanoic acid
CID 82003478

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]pyrrolidine-1-carbohydrazide?
The IUPAC name of 2-[(dimethylamino)methyl]pyrrolidine-1-carbohydrazide (CID 62887688) is 2-[(dimethylamino)methyl]pyrrolidine-1-carbohydrazide.
What is the SMILES notation for 2-[(dimethylamino)methyl]pyrrolidine-1-carbohydrazide?
The canonical SMILES for 2-[(dimethylamino)methyl]pyrrolidine-1-carbohydrazide is CN(C)CC1CCCN1C(=O)NN.
What is the InChIKey of 2-[(dimethylamino)methyl]pyrrolidine-1-carbohydrazide?
The InChIKey is YDENEKDOTGJAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O/c1-11(2)6-7-4-3-5-12(7)8(13)10-9/h7H,3-6,9H2,1-2H3,(H,10,13).
What are the key properties of 2-[(dimethylamino)methyl]pyrrolidine-1-carbohydrazide?
2-[(dimethylamino)methyl]pyrrolidine-1-carbohydrazide has a molecular weight of 186.26 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]pyrrolidine-1-carbohydrazide is sourced from PubChem (CID 62887688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).