tert-butyl formate;pyrrolidine-3-carbohydrazide

C10H21N3O3 — CID 174810054

IUPACtert-butyl formate;pyrrolidine-3-carbohydrazide
SMILESCC(C)(C)OC=O.NNC(=O)C1CCNC1
InChIInChI=1S/C5H11N3O.C5H10O2/c6-8-5(9)4-1-2-7-3-4;1-5(2,3)7-4-6/h4,7H,1-3,6H2,(H,8,9);4H,1-3H3
InChIKeyPWQGFDARUHJRKN-UHFFFAOYSA-N
MW231.30 g/mol
LogP-0.46
Rot. Bonds2

About tert-butyl formate;pyrrolidine-3-carbohydrazide

tert-butyl formate;pyrrolidine-3-carbohydrazide (PubChem CID 174810054) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is tert-butyl formate;pyrrolidine-3-carbohydrazide.

Molecular Properties

Compound Nametert-butyl formate;pyrrolidine-3-carbohydrazide
PubChem CID174810054
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Nametert-butyl formate;pyrrolidine-3-carbohydrazide
SMILESCC(C)(C)OC=O.NNC(=O)C1CCNC1
InChIInChI=1S/C5H11N3O.C5H10O2/c6-8-5(9)4-1-2-7-3-4;1-5(2,3)7-4-6/h4,7H,1-3,6H2,(H,8,9);4H,1-3H3
InChIKeyPWQGFDARUHJRKN-UHFFFAOYSA-N
XLogP-0.46
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(tert-butyl formate);pyrrolidine-3-carboxamide
CID 175304917
ethane;piperidine-3-carbohydrazide
CID 143869941
N-ethoxypyrrolidine-3-carboxamide
CID 64974765
tert-butyl formate;1-pyrrolidin-3-ylethanol
CID 175295526
acetic acid;tert-butyl formate;3-ethylpiperidin-4-amine
CID 159777318
tert-butyl formate;(3R)-piperidin-3-ol
CID 158926595
N-(2-amino-2-methylpropyl)pyrrolidine-3-carboxamide
CID 83617629
tert-butyl formate;carbamic acid;piperazine
CID 174978332
tert-butyl (2S)-3-methyl-2-(pyrrolidine-3-carbonylamino)butanoate
CID 175766153
tert-butyl pyrrolidine-3-carboxylate;hydrochloride
CID 86346376
tert-butyl formate;piperazine
CID 159581918
2-methyl-2-(pyrrolidine-3-carbonylamino)propanoic acid
CID 63005212

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;pyrrolidine-3-carbohydrazide?
The IUPAC name of tert-butyl formate;pyrrolidine-3-carbohydrazide (CID 174810054) is tert-butyl formate;pyrrolidine-3-carbohydrazide.
What is the SMILES notation for tert-butyl formate;pyrrolidine-3-carbohydrazide?
The canonical SMILES for tert-butyl formate;pyrrolidine-3-carbohydrazide is CC(C)(C)OC=O.NNC(=O)C1CCNC1.
What is the InChIKey of tert-butyl formate;pyrrolidine-3-carbohydrazide?
The InChIKey is PWQGFDARUHJRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O.C5H10O2/c6-8-5(9)4-1-2-7-3-4;1-5(2,3)7-4-6/h4,7H,1-3,6H2,(H,8,9);4H,1-3H3.
What are the key properties of tert-butyl formate;pyrrolidine-3-carbohydrazide?
tert-butyl formate;pyrrolidine-3-carbohydrazide has a molecular weight of 231.30 g/mol, XLogP of -0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;pyrrolidine-3-carbohydrazide is sourced from PubChem (CID 174810054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).