(2S)-N'-pentylpyrrolidine-2-carbohydrazide

C10H21N3O — CID 174372562

IUPAC(2S)-N'-pentylpyrrolidine-2-carbohydrazide
SMILESCCCCCNNC(=O)[C@@H]1CCCN1
InChIInChI=1S/C10H21N3O/c1-2-3-4-8-12-13-10(14)9-6-5-7-11-9/h9,11-12H,2-8H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyRMKVLSHKZOYUPB-VIFPVBQESA-N
MW199.30 g/mol
LogP0.55
Rot. Bonds6

About (2S)-N'-pentylpyrrolidine-2-carbohydrazide

(2S)-N'-pentylpyrrolidine-2-carbohydrazide (PubChem CID 174372562) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is (2S)-N'-pentylpyrrolidine-2-carbohydrazide.

Molecular Properties

Compound Name(2S)-N'-pentylpyrrolidine-2-carbohydrazide
PubChem CID174372562
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name(2S)-N'-pentylpyrrolidine-2-carbohydrazide
SMILESCCCCCNNC(=O)[C@@H]1CCCN1
InChIInChI=1S/C10H21N3O/c1-2-3-4-8-12-13-10(14)9-6-5-7-11-9/h9,11-12H,2-8H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyRMKVLSHKZOYUPB-VIFPVBQESA-N
XLogP0.55
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-butylpyrrolidine-2-carboxamide
CID 22691332
N-propylpyrrolidine-2-carboxamide
CID 4984185
1-[(2S)-pyrrolidin-2-yl]heptadecan-1-one
CID 90355847
(2S)-N-[(2S)-4-methyl-1-(octadecylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
CID 102062594
(2R)-N-ethylpyrrolidine-2-carboxamide;molecular hydrogen
CID 178045420
(2S)-pyrrolidine-2-carboxylic acid;tetradecylphosphane
CID 175590422
(2S)-N,N-dipentylpyrrolidine-2-carboxamide
CID 61165096
(2S)-N-[3-(dipropylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 122081502
N-[2-oxo-2-(propylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119271449
N-(2-propylhexyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119339774
heptyl pyrrolidine-2-carboxylate
CID 14777077
(2S)-N'-(3,3-dimethylbutanoyl)pyrrolidine-2-carbohydrazide
CID 67670583

Frequently Asked Questions

What is the IUPAC name of (2S)-N'-pentylpyrrolidine-2-carbohydrazide?
The IUPAC name of (2S)-N'-pentylpyrrolidine-2-carbohydrazide (CID 174372562) is (2S)-N'-pentylpyrrolidine-2-carbohydrazide.
What is the SMILES notation for (2S)-N'-pentylpyrrolidine-2-carbohydrazide?
The canonical SMILES for (2S)-N'-pentylpyrrolidine-2-carbohydrazide is CCCCCNNC(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N'-pentylpyrrolidine-2-carbohydrazide?
The InChIKey is RMKVLSHKZOYUPB-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21N3O/c1-2-3-4-8-12-13-10(14)9-6-5-7-11-9/h9,11-12H,2-8H2,1H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-N'-pentylpyrrolidine-2-carbohydrazide?
(2S)-N'-pentylpyrrolidine-2-carbohydrazide has a molecular weight of 199.30 g/mol, XLogP of 0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-pentylpyrrolidine-2-carbohydrazide is sourced from PubChem (CID 174372562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).