N,N-bis(cyanomethyl)-4-(methylamino)oxolane-3-carboxamide

C10H14N4O2 — CID 66266554

IUPACN,N-bis(cyanomethyl)-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)N(CC#N)CC#N
InChIInChI=1S/C10H14N4O2/c1-13-9-7-16-6-8(9)10(15)14(4-2-11)5-3-12/h8-9,13H,4-7H2,1H3
InChIKeyDFZVSEJRYXTWNR-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.90
Rot. Bonds4

About N,N-bis(cyanomethyl)-4-(methylamino)oxolane-3-carboxamide

N,N-bis(cyanomethyl)-4-(methylamino)oxolane-3-carboxamide (PubChem CID 66266554) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is N,N-bis(cyanomethyl)-4-(methylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN,N-bis(cyanomethyl)-4-(methylamino)oxolane-3-carboxamide
PubChem CID66266554
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC NameN,N-bis(cyanomethyl)-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)N(CC#N)CC#N
InChIInChI=1S/C10H14N4O2/c1-13-9-7-16-6-8(9)10(15)14(4-2-11)5-3-12/h8-9,13H,4-7H2,1H3
InChIKeyDFZVSEJRYXTWNR-UHFFFAOYSA-N
XLogP-0.90
TPSA89.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-4-(methylamino)oxolane-3-carboxamide
CID 66265754
N-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)oxolane-3-carboxamide
CID 102992836
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66266610
N-methyl-4-(methylamino)-N-(2-methylbutyl)oxolane-3-carboxamide
CID 66265969
N-[(4-cyanophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66266207
N-cyclopropyl-N-(cyclopropylmethyl)-4-(methylamino)oxolane-3-carboxamide
CID 66267056
N-butyl-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66266751
N-(cyclopropylmethyl)-4-(methylamino)-N-propan-2-yloxolane-3-carboxamide
CID 66267230
2-[cyclopentyl-[4-(methylamino)oxolane-3-carbonyl]amino]acetic acid
CID 66265046
3-[ethyl-[4-(methylamino)oxolane-3-carbonyl]amino]butanoic acid
CID 66267433
4-methyl-1-[4-(methylamino)oxolan-3-yl]pent-4-en-1-one
CID 114477902
N-(4-ethylphenyl)-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66265259

Frequently Asked Questions

What is the IUPAC name of N,N-bis(cyanomethyl)-4-(methylamino)oxolane-3-carboxamide?
The IUPAC name of N,N-bis(cyanomethyl)-4-(methylamino)oxolane-3-carboxamide (CID 66266554) is N,N-bis(cyanomethyl)-4-(methylamino)oxolane-3-carboxamide.
What is the SMILES notation for N,N-bis(cyanomethyl)-4-(methylamino)oxolane-3-carboxamide?
The canonical SMILES for N,N-bis(cyanomethyl)-4-(methylamino)oxolane-3-carboxamide is CNC1COCC1C(=O)N(CC#N)CC#N.
What is the InChIKey of N,N-bis(cyanomethyl)-4-(methylamino)oxolane-3-carboxamide?
The InChIKey is DFZVSEJRYXTWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-13-9-7-16-6-8(9)10(15)14(4-2-11)5-3-12/h8-9,13H,4-7H2,1H3.
What are the key properties of N,N-bis(cyanomethyl)-4-(methylamino)oxolane-3-carboxamide?
N,N-bis(cyanomethyl)-4-(methylamino)oxolane-3-carboxamide has a molecular weight of 222.25 g/mol, XLogP of -0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(cyanomethyl)-4-(methylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66266554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).