N-(3,6-dihydro-2H-pyran-5-ylmethyl)azetidine-2-carboxamide

C10H16N2O2 — CID 131209393

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)azetidine-2-carboxamide
SMILESO=C(NCC1=CCCOC1)C1CCN1
InChIInChI=1S/C10H16N2O2/c13-10(9-3-4-11-9)12-6-8-2-1-5-14-7-8/h2,9,11H,1,3-7H2,(H,12,13)
InChIKeyTVSPMHGHPLYCJP-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.19
Rot. Bonds3

About N-(3,6-dihydro-2H-pyran-5-ylmethyl)azetidine-2-carboxamide

N-(3,6-dihydro-2H-pyran-5-ylmethyl)azetidine-2-carboxamide (PubChem CID 131209393) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)azetidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)azetidine-2-carboxamide
PubChem CID131209393
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)azetidine-2-carboxamide
SMILESO=C(NCC1=CCCOC1)C1CCN1
InChIInChI=1S/C10H16N2O2/c13-10(9-3-4-11-9)12-6-8-2-1-5-14-7-8/h2,9,11H,1,3-7H2,(H,12,13)
InChIKeyTVSPMHGHPLYCJP-UHFFFAOYSA-N
XLogP-0.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3,6-dihydro-2H-pyran-5-ylmethyl)azetidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-benzylazetidine-2-carboxamide;hydrochloride
CID 130891385
(2R)-N-[2-(cyclopenten-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 106175364
N-[(4-cyanophenyl)methyl]azetidine-2-carboxamide
CID 18670937
N-[(3-bromothiophen-2-yl)methyl]azetidine-2-carboxamide
CID 131165790
N-[(2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 119853783
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-2-carboxamide
CID 119834969
(2R)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 93263831
(2R)-N-(cyclopropylmethyl)azetidine-2-carboxamide;hydrochloride
CID 130670141
N-(oxolan-2-ylmethyl)azetidine-2-carboxamide
CID 130964235
(2R)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
CID 119834947
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 43094683

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)azetidine-2-carboxamide?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)azetidine-2-carboxamide (CID 131209393) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)azetidine-2-carboxamide.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)azetidine-2-carboxamide?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)azetidine-2-carboxamide is O=C(NCC1=CCCOC1)C1CCN1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)azetidine-2-carboxamide?
The InChIKey is TVSPMHGHPLYCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c13-10(9-3-4-11-9)12-6-8-2-1-5-14-7-8/h2,9,11H,1,3-7H2,(H,12,13).
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)azetidine-2-carboxamide?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)azetidine-2-carboxamide has a molecular weight of 196.25 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dihydro-2H-pyran-5-ylmethyl)azetidine-2-carboxamide is sourced from PubChem (CID 131209393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).