1-pyridin-2-ylethyl N-(aminomethylidene)carbamate

C9H11N3O2 — CID 91804895

IUPAC1-pyridin-2-ylethyl N-(aminomethylidene)carbamate
SMILESCC(OC(=O)N=CN)c1ccccn1
InChIInChI=1S/C9H11N3O2/c1-7(14-9(13)12-6-10)8-4-2-3-5-11-8/h2-7H,1H3,(H2,10,12,13)
InChIKeyHYOVXZCSACQOCE-UHFFFAOYSA-N
MW193.21 g/mol
LogP1.27
Rot. Bonds2

About 1-pyridin-2-ylethyl N-(aminomethylidene)carbamate

1-pyridin-2-ylethyl N-(aminomethylidene)carbamate (PubChem CID 91804895) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 1-pyridin-2-ylethyl N-(aminomethylidene)carbamate.

Molecular Properties

Compound Name1-pyridin-2-ylethyl N-(aminomethylidene)carbamate
PubChem CID91804895
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name1-pyridin-2-ylethyl N-(aminomethylidene)carbamate
SMILESCC(OC(=O)N=CN)c1ccccn1
InChIInChI=1S/C9H11N3O2/c1-7(14-9(13)12-6-10)8-4-2-3-5-11-8/h2-7H,1H3,(H2,10,12,13)
InChIKeyHYOVXZCSACQOCE-UHFFFAOYSA-N
XLogP1.27
TPSA77.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-pyridin-2-ylethyl propanoate
CID 141268318
[(1S)-1-pyridin-2-ylethyl] 4-carbamoylbenzoate
CID 95908447
(Z,Z)-2-pyridin-2-yl-N-[1-(1-pyridin-2-ylethoxy)ethenyl]but-2-en-1-imine
CID 142517548
2,4-dipyridin-2-ylpentan-3-one
CID 141048798
oxalic acid;1-pyridin-2-ylethanamine
CID 45156268
2-(1-pyridin-2-ylethoxycarbonylamino)benzoic acid
CID 67760510
methyl 2-methyl-3-pyridin-2-ylbutanoate
CID 102470935
[(1S)-1-pyridin-2-ylethyl] 5-bromopyridine-3-carboxylate
CID 95908461
methyl (2R)-2-amino-2-pyridin-2-ylacetate
CID 86316521
[(1S)-1-pyridin-2-ylethyl] methanesulfonate
CID 11790238
(2R)-2-pyridin-2-ylpropanoate
CID 86306983
2-[(1R)-1-phenoxyethyl]pyridine
CID 15893448

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-ylethyl N-(aminomethylidene)carbamate?
The IUPAC name of 1-pyridin-2-ylethyl N-(aminomethylidene)carbamate (CID 91804895) is 1-pyridin-2-ylethyl N-(aminomethylidene)carbamate.
What is the SMILES notation for 1-pyridin-2-ylethyl N-(aminomethylidene)carbamate?
The canonical SMILES for 1-pyridin-2-ylethyl N-(aminomethylidene)carbamate is CC(OC(=O)N=CN)c1ccccn1.
What is the InChIKey of 1-pyridin-2-ylethyl N-(aminomethylidene)carbamate?
The InChIKey is HYOVXZCSACQOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-7(14-9(13)12-6-10)8-4-2-3-5-11-8/h2-7H,1H3,(H2,10,12,13).
What are the key properties of 1-pyridin-2-ylethyl N-(aminomethylidene)carbamate?
1-pyridin-2-ylethyl N-(aminomethylidene)carbamate has a molecular weight of 193.21 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-ylethyl N-(aminomethylidene)carbamate is sourced from PubChem (CID 91804895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).