[1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl] carbamate

C12H14N4O3 — CID 68925236

IUPAC[1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl] carbamate
SMILESNNC(=O)C(Cc1c[nH]c2ccccc12)OC(N)=O
InChIInChI=1S/C12H14N4O3/c13-12(18)19-10(11(17)16-14)5-7-6-15-9-4-2-1-3-8(7)9/h1-4,6,10,15H,5,14H2,(H2,13,18)(H,16,17)
InChIKeyIKORJLHBPVYUDJ-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.16
Rot. Bonds4

About [1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl] carbamate

[1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl] carbamate (PubChem CID 68925236) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is [1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl] carbamate
PubChem CID68925236
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name[1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl] carbamate
SMILESNNC(=O)C(Cc1c[nH]c2ccccc12)OC(N)=O
InChIInChI=1S/C12H14N4O3/c13-12(18)19-10(11(17)16-14)5-7-6-15-9-4-2-1-3-8(7)9/h1-4,6,10,15H,5,14H2,(H2,13,18)(H,16,17)
InChIKeyIKORJLHBPVYUDJ-UHFFFAOYSA-N
XLogP0.16
TPSA123.23 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.16
H-Bond Donors ≤ 54
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

[1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl] carbamate
CID 175275526
[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]azanium chloride
CID 2737346
methyl (2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoate
CID 10988127
2-amino-N-carbamoyl-3-(1H-indol-3-yl)propanamide
CID 114350832
tert-butyl N-[(2R)-1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 7109658
methyl 2-bromo-3-(1H-indol-3-yl)propanoate
CID 82627645
sulfanyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate
CID 175583817
ethane;methyl 3-(1H-indol-3-yl)-2-methylpropanoate
CID 169189360
[1-carboxy-2-(1H-indol-3-yl)ethyl]azanium
CID 5460842
methyl (2S)-3-(1H-indol-3-yl)-2-(methoxycarbonylamino)propanoate
CID 7018187
methyl 3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-(methylamino)propanoyl]amino]propanoate
CID 166966040
aminothiourea;2-(1H-indol-3-yl)acetic acid
CID 87278638

Frequently Asked Questions

What is the IUPAC name of [1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl] carbamate?
The IUPAC name of [1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl] carbamate (CID 68925236) is [1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl] carbamate.
What is the SMILES notation for [1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl] carbamate?
The canonical SMILES for [1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl] carbamate is NNC(=O)C(Cc1c[nH]c2ccccc12)OC(N)=O.
What is the InChIKey of [1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl] carbamate?
The InChIKey is IKORJLHBPVYUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c13-12(18)19-10(11(17)16-14)5-7-6-15-9-4-2-1-3-8(7)9/h1-4,6,10,15H,5,14H2,(H2,13,18)(H,16,17).
What are the key properties of [1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl] carbamate?
[1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl] carbamate has a molecular weight of 262.27 g/mol, XLogP of 0.16, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl] carbamate is sourced from PubChem (CID 68925236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).