cyano N-methyl-N-[2-[(3S)-oxan-3-yl]ethyl]carbamate

C10H16N2O3 — CID 68723602

IUPACcyano N-methyl-N-[2-[(3S)-oxan-3-yl]ethyl]carbamate
SMILESCN(CC[C@@H]1CCCOC1)C(=O)OC#N
InChIInChI=1S/C10H16N2O3/c1-12(10(13)15-8-11)5-4-9-3-2-6-14-7-9/h9H,2-7H2,1H3/t9-/m0/s1
InChIKeyPXJKQWUFNDUKSF-VIFPVBQESA-N
MW212.25 g/mol
LogP1.35
Rot. Bonds3

About cyano N-methyl-N-[2-[(3S)-oxan-3-yl]ethyl]carbamate

cyano N-methyl-N-[2-[(3S)-oxan-3-yl]ethyl]carbamate (PubChem CID 68723602) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is cyano N-methyl-N-[2-[(3S)-oxan-3-yl]ethyl]carbamate.

Molecular Properties

Compound Namecyano N-methyl-N-[2-[(3S)-oxan-3-yl]ethyl]carbamate
PubChem CID68723602
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Namecyano N-methyl-N-[2-[(3S)-oxan-3-yl]ethyl]carbamate
SMILESCN(CC[C@@H]1CCCOC1)C(=O)OC#N
InChIInChI=1S/C10H16N2O3/c1-12(10(13)15-8-11)5-4-9-3-2-6-14-7-9/h9H,2-7H2,1H3/t9-/m0/s1
InChIKeyPXJKQWUFNDUKSF-VIFPVBQESA-N
XLogP1.35
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl N-methyl-N-(oxan-3-ylmethyl)carbamate
CID 116656071
1-methyl-1-(oxan-3-ylmethyl)urea
CID 63712445
2-methoxy-N-methyl-N-(oxan-3-ylmethyl)propanamide
CID 115618168
2,2-dimethyl-3-[methyl(oxan-3-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 64837348
3-amino-N-methyl-N-(oxan-3-ylmethyl)propanamide
CID 63712787
[(1S)-1-cyano-2-(oxan-3-yl)ethyl]-methylcarbamic acid
CID 67079210
ethyl 4-[methyl(oxan-3-ylmethyl)amino]-4-oxobutanoate
CID 63717734
4,4-dimethyl-1-(oxan-3-yl)pentan-3-one
CID 107137760
1-cyano-N-methyl-N-[2-(oxan-4-yl)ethyl]cyclobutane-1-carboxamide
CID 115183403
3-cyclobutyl-1-methyl-1-(oxan-3-ylmethyl)urea
CID 115618287
3-amino-1,2-dimethyl-1-(oxan-3-ylmethyl)guanidine
CID 104882236
N-methyl-N-(oxan-3-ylmethyl)hydroxylamine
CID 82594564

Frequently Asked Questions

What is the IUPAC name of cyano N-methyl-N-[2-[(3S)-oxan-3-yl]ethyl]carbamate?
The IUPAC name of cyano N-methyl-N-[2-[(3S)-oxan-3-yl]ethyl]carbamate (CID 68723602) is cyano N-methyl-N-[2-[(3S)-oxan-3-yl]ethyl]carbamate.
What is the SMILES notation for cyano N-methyl-N-[2-[(3S)-oxan-3-yl]ethyl]carbamate?
The canonical SMILES for cyano N-methyl-N-[2-[(3S)-oxan-3-yl]ethyl]carbamate is CN(CC[C@@H]1CCCOC1)C(=O)OC#N.
What is the InChIKey of cyano N-methyl-N-[2-[(3S)-oxan-3-yl]ethyl]carbamate?
The InChIKey is PXJKQWUFNDUKSF-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16N2O3/c1-12(10(13)15-8-11)5-4-9-3-2-6-14-7-9/h9H,2-7H2,1H3/t9-/m0/s1.
What are the key properties of cyano N-methyl-N-[2-[(3S)-oxan-3-yl]ethyl]carbamate?
cyano N-methyl-N-[2-[(3S)-oxan-3-yl]ethyl]carbamate has a molecular weight of 212.25 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyano N-methyl-N-[2-[(3S)-oxan-3-yl]ethyl]carbamate is sourced from PubChem (CID 68723602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).