(3-hydrazinyl-3-oxopropyl) carbamate

C4H9N3O3 — CID 175058137

IUPAC(3-hydrazinyl-3-oxopropyl) carbamate
SMILESNNC(=O)CCOC(N)=O
InChIInChI=1S/C4H9N3O3/c5-4(9)10-2-1-3(8)7-6/h1-2,6H2,(H2,5,9)(H,7,8)
InChIKeyVRPMLGAAKQBGTM-UHFFFAOYSA-N
MW147.13 g/mol
LogP-1.54
Rot. Bonds3

About (3-hydrazinyl-3-oxopropyl) carbamate

(3-hydrazinyl-3-oxopropyl) carbamate (PubChem CID 175058137) has the molecular formula C4H9N3O3 and a molecular weight of 147.13 g/mol. Its IUPAC name is (3-hydrazinyl-3-oxopropyl) carbamate.

Molecular Properties

Compound Name(3-hydrazinyl-3-oxopropyl) carbamate
PubChem CID175058137
Molecular FormulaC4H9N3O3
Molecular Weight147.13 g/mol
Exact Mass147.06
IUPAC Name(3-hydrazinyl-3-oxopropyl) carbamate
SMILESNNC(=O)CCOC(N)=O
InChIInChI=1S/C4H9N3O3/c5-4(9)10-2-1-3(8)7-6/h1-2,6H2,(H2,5,9)(H,7,8)
InChIKeyVRPMLGAAKQBGTM-UHFFFAOYSA-N
XLogP-1.54
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-1.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

[3-(methoxymethylamino)-3-oxopropyl] carbamate
CID 22489108
butanedihydrazide;hydrochloride
CID 54607274
3-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanehydrazide
CID 126480543
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanehydrazide
CID 126651556
3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propanehydrazide
CID 118988091
ethyl 3-carbamoyloxypropanoate
CID 175485814
hexanedihydrazide;pentanedihydrazide
CID 157195533
3-(cyclopropylmethoxy)propanehydrazide
CID 63574361
9-carbamoyloxynonyl carbamate
CID 87883969
3-(carbamoyloxymethyl)but-3-enyl carbamate
CID 89382889
3-(3,5-dimethylphenoxy)propanehydrazide
CID 43244782
3-(4-propoxyphenoxy)propanehydrazide
CID 63576064

Frequently Asked Questions

What is the IUPAC name of (3-hydrazinyl-3-oxopropyl) carbamate?
The IUPAC name of (3-hydrazinyl-3-oxopropyl) carbamate (CID 175058137) is (3-hydrazinyl-3-oxopropyl) carbamate.
What is the SMILES notation for (3-hydrazinyl-3-oxopropyl) carbamate?
The canonical SMILES for (3-hydrazinyl-3-oxopropyl) carbamate is NNC(=O)CCOC(N)=O.
What is the InChIKey of (3-hydrazinyl-3-oxopropyl) carbamate?
The InChIKey is VRPMLGAAKQBGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O3/c5-4(9)10-2-1-3(8)7-6/h1-2,6H2,(H2,5,9)(H,7,8).
What are the key properties of (3-hydrazinyl-3-oxopropyl) carbamate?
(3-hydrazinyl-3-oxopropyl) carbamate has a molecular weight of 147.13 g/mol, XLogP of -1.54, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydrazinyl-3-oxopropyl) carbamate is sourced from PubChem (CID 175058137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).