propan-2-yl N-(1-pyridin-2-ylpropylidene)carbamate

C12H16N2O2 — CID 173495171

IUPACpropan-2-yl N-(1-pyridin-2-ylpropylidene)carbamate
SMILESCCC(=NC(=O)OC(C)C)c1ccccn1
InChIInChI=1S/C12H16N2O2/c1-4-10(11-7-5-6-8-13-11)14-12(15)16-9(2)3/h5-9H,4H2,1-3H3
InChIKeyFUWKPZTXTTYQQR-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.83
Rot. Bonds3

About propan-2-yl N-(1-pyridin-2-ylpropylidene)carbamate

propan-2-yl N-(1-pyridin-2-ylpropylidene)carbamate (PubChem CID 173495171) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is propan-2-yl N-(1-pyridin-2-ylpropylidene)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(1-pyridin-2-ylpropylidene)carbamate
PubChem CID173495171
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Namepropan-2-yl N-(1-pyridin-2-ylpropylidene)carbamate
SMILESCCC(=NC(=O)OC(C)C)c1ccccn1
InChIInChI=1S/C12H16N2O2/c1-4-10(11-7-5-6-8-13-11)14-12(15)16-9(2)3/h5-9H,4H2,1-3H3
InChIKeyFUWKPZTXTTYQQR-UHFFFAOYSA-N
XLogP2.83
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;propan-2-yl (NZ)-N-(1-phenylpropylidene)carbamate
CID 142227813
2-(1-propan-2-yloxyethenyl)pyridine
CID 15561064
ethyl (3S)-3-methyl-5-methylimino-5-pyridin-2-ylpentanoate
CID 166864281
1-aminobutyl pyridine-2-carboxylate
CID 174954272
1-aminoethyl pyridine-2-carboxylate
CID 141264689
2,2-diethoxy-1-pyridin-2-ylethanone
CID 13057565
N-(3-methylpentan-2-yl)-1-pyridin-2-ylethanimine
CID 90268587
ethyl pyridine-2-carboxylate
CID 17307
butane;ethane;1-pyridin-2-ylpropan-1-one
CID 144892300
N-[4-[1-(propylamino)ethyl]phenyl]pyridine-2-carboxamide
CID 43507728
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
(2-methyl-1-phenylpropyl) pyridine-2-carboxylate
CID 100987020

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(1-pyridin-2-ylpropylidene)carbamate?
The IUPAC name of propan-2-yl N-(1-pyridin-2-ylpropylidene)carbamate (CID 173495171) is propan-2-yl N-(1-pyridin-2-ylpropylidene)carbamate.
What is the SMILES notation for propan-2-yl N-(1-pyridin-2-ylpropylidene)carbamate?
The canonical SMILES for propan-2-yl N-(1-pyridin-2-ylpropylidene)carbamate is CCC(=NC(=O)OC(C)C)c1ccccn1.
What is the InChIKey of propan-2-yl N-(1-pyridin-2-ylpropylidene)carbamate?
The InChIKey is FUWKPZTXTTYQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-4-10(11-7-5-6-8-13-11)14-12(15)16-9(2)3/h5-9H,4H2,1-3H3.
What are the key properties of propan-2-yl N-(1-pyridin-2-ylpropylidene)carbamate?
propan-2-yl N-(1-pyridin-2-ylpropylidene)carbamate has a molecular weight of 220.27 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(1-pyridin-2-ylpropylidene)carbamate is sourced from PubChem (CID 173495171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).