ethyl N-[1-cyano-2,2-bis(methylamino)ethenyl]carbamate

C8H14N4O2 — CID 2829864

IUPACethyl N-[1-cyano-2,2-bis(methylamino)ethenyl]carbamate
SMILESCCOC(=O)NC(C#N)=C(NC)NC
InChIInChI=1S/C8H14N4O2/c1-4-14-8(13)12-6(5-9)7(10-2)11-3/h10-11H,4H2,1-3H3,(H,12,13)
InChIKeyCNKNFTLZINMJIJ-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.14
Rot. Bonds4

About ethyl N-[1-cyano-2,2-bis(methylamino)ethenyl]carbamate

ethyl N-[1-cyano-2,2-bis(methylamino)ethenyl]carbamate (PubChem CID 2829864) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is ethyl N-[1-cyano-2,2-bis(methylamino)ethenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-cyano-2,2-bis(methylamino)ethenyl]carbamate
PubChem CID2829864
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Nameethyl N-[1-cyano-2,2-bis(methylamino)ethenyl]carbamate
SMILESCCOC(=O)NC(C#N)=C(NC)NC
InChIInChI=1S/C8H14N4O2/c1-4-14-8(13)12-6(5-9)7(10-2)11-3/h10-11H,4H2,1-3H3,(H,12,13)
InChIKeyCNKNFTLZINMJIJ-UHFFFAOYSA-N
XLogP-0.14
TPSA86.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 3111963
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ethyl N-(methylcarbamothioyl)carbamate
CID 45032345
ethyl N-methylcarbamate;formaldehyde
CID 160650405
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CID 160975753
ethyl N-[4-(1,2,2-tricyanoethenylamino)phenyl]carbamate
CID 168606743
ethyl 3,3-dicyano-2-(methylamino)prop-2-enoate
CID 12531499
N-ethoxycarbonylcarbamothioate
CID 19787554
ethyl 2-cyanoacetate
CID 13007964
ethyl N-(ethoxycarbonylcarbamoyl)carbamate;fluoromethanesulfonic acid;hydrate
CID 172774466
ethyl N-[(Z)-2-cyano-3-[[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]amino]prop-2-enoyl]carbamate
CID 6373903
ethyl N-fluorocarbamate;methane
CID 158743481

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-cyano-2,2-bis(methylamino)ethenyl]carbamate?
The IUPAC name of ethyl N-[1-cyano-2,2-bis(methylamino)ethenyl]carbamate (CID 2829864) is ethyl N-[1-cyano-2,2-bis(methylamino)ethenyl]carbamate.
What is the SMILES notation for ethyl N-[1-cyano-2,2-bis(methylamino)ethenyl]carbamate?
The canonical SMILES for ethyl N-[1-cyano-2,2-bis(methylamino)ethenyl]carbamate is CCOC(=O)NC(C#N)=C(NC)NC.
What is the InChIKey of ethyl N-[1-cyano-2,2-bis(methylamino)ethenyl]carbamate?
The InChIKey is CNKNFTLZINMJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-4-14-8(13)12-6(5-9)7(10-2)11-3/h10-11H,4H2,1-3H3,(H,12,13).
What are the key properties of ethyl N-[1-cyano-2,2-bis(methylamino)ethenyl]carbamate?
ethyl N-[1-cyano-2,2-bis(methylamino)ethenyl]carbamate has a molecular weight of 198.23 g/mol, XLogP of -0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-cyano-2,2-bis(methylamino)ethenyl]carbamate is sourced from PubChem (CID 2829864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).