N-(cyanomethyl)-N,3-dimethyloxane-4-carboxamide

C10H16N2O2 — CID 130173978

IUPACN-(cyanomethyl)-N,3-dimethyloxane-4-carboxamide
SMILESCC1COCCC1C(=O)N(C)CC#N
InChIInChI=1S/C10H16N2O2/c1-8-7-14-6-3-9(8)10(13)12(2)5-4-11/h8-9H,3,5-7H2,1-2H3
InChIKeyBKZMLTGGAMFUPV-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.64
Rot. Bonds2

About N-(cyanomethyl)-N,3-dimethyloxane-4-carboxamide

N-(cyanomethyl)-N,3-dimethyloxane-4-carboxamide (PubChem CID 130173978) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is N-(cyanomethyl)-N,3-dimethyloxane-4-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N,3-dimethyloxane-4-carboxamide
PubChem CID130173978
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC NameN-(cyanomethyl)-N,3-dimethyloxane-4-carboxamide
SMILESCC1COCCC1C(=O)N(C)CC#N
InChIInChI=1S/C10H16N2O2/c1-8-7-14-6-3-9(8)10(13)12(2)5-4-11/h8-9H,3,5-7H2,1-2H3
InChIKeyBKZMLTGGAMFUPV-UHFFFAOYSA-N
XLogP0.64
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyanomethyl)-N-methylcycloheptanecarboxamide
CID 62586502
N-(cyanomethyl)-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 130751777
3-methyl-1-(3-methyloxan-4-yl)but-3-en-1-one
CID 130491993
(3S,4R)-N,N,3-trimethyloxane-4-sulfonamide
CID 97177278
N,N-bis(cyanomethyl)-4-(methylamino)oxolane-3-carboxamide
CID 66266554
N-methyl-N-(oxolan-3-ylmethyl)acetamide
CID 129016783
N-(2-bromoprop-2-enyl)-3-methyloxane-4-carboxamide
CID 130173977
4-amino-N-[2-(dimethylamino)ethyl]-N,2-dimethylcyclohexane-1-carboxamide
CID 63727080
2-[methyl(oxolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 82732714
(3S,4R)-3-methyloxane-4-carbonitrile
CID 99718652
N-[1-(chloromethyl)-4-methylcyclohexyl]-3-methyloxane-4-carboxamide
CID 114241726
2-cyclopropyl-2-[(3-methyloxane-4-carbonyl)amino]propanoic acid
CID 114240910

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N,3-dimethyloxane-4-carboxamide?
The IUPAC name of N-(cyanomethyl)-N,3-dimethyloxane-4-carboxamide (CID 130173978) is N-(cyanomethyl)-N,3-dimethyloxane-4-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-N,3-dimethyloxane-4-carboxamide?
The canonical SMILES for N-(cyanomethyl)-N,3-dimethyloxane-4-carboxamide is CC1COCCC1C(=O)N(C)CC#N.
What is the InChIKey of N-(cyanomethyl)-N,3-dimethyloxane-4-carboxamide?
The InChIKey is BKZMLTGGAMFUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-8-7-14-6-3-9(8)10(13)12(2)5-4-11/h8-9H,3,5-7H2,1-2H3.
What are the key properties of N-(cyanomethyl)-N,3-dimethyloxane-4-carboxamide?
N-(cyanomethyl)-N,3-dimethyloxane-4-carboxamide has a molecular weight of 196.25 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N,3-dimethyloxane-4-carboxamide is sourced from PubChem (CID 130173978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).