prop-2-enyl N'-(C,N-dimethylcarbonimidoyl)-N-methylidenecarbamimidate

C8H13N3O — CID 166894165

IUPACprop-2-enyl N'-(C,N-dimethylcarbonimidoyl)-N-methylidenecarbamimidate
SMILESC=CCO/C(N=C)=N\C(C)=N\C
InChIInChI=1S/C8H13N3O/c1-5-6-12-8(10-4)11-7(2)9-3/h5H,1,4,6H2,2-3H3/b9-7+,11-8-
InChIKeyKRMZJQVHRRGZAR-BGZVTZOUSA-N
MW167.21 g/mol
LogP1.29
Rot. Bonds2

About prop-2-enyl N'-(C,N-dimethylcarbonimidoyl)-N-methylidenecarbamimidate

prop-2-enyl N'-(C,N-dimethylcarbonimidoyl)-N-methylidenecarbamimidate (PubChem CID 166894165) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is prop-2-enyl N'-(C,N-dimethylcarbonimidoyl)-N-methylidenecarbamimidate.

Molecular Properties

Compound Nameprop-2-enyl N'-(C,N-dimethylcarbonimidoyl)-N-methylidenecarbamimidate
PubChem CID166894165
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Nameprop-2-enyl N'-(C,N-dimethylcarbonimidoyl)-N-methylidenecarbamimidate
SMILESC=CCO/C(N=C)=N\C(C)=N\C
InChIInChI=1S/C8H13N3O/c1-5-6-12-8(10-4)11-7(2)9-3/h5H,1,4,6H2,2-3H3/b9-7+,11-8-
InChIKeyKRMZJQVHRRGZAR-BGZVTZOUSA-N
XLogP1.29
TPSA46.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-2-prop-2-enoxybut-2-ene
CID 102099599
CID 102351890
CID 102351890
ethene;prop-2-enyl (1E)-N-[(E)-C-prop-2-enoxy-N-(1-prop-2-enoxyethenyl)carbonimidoyl]ethanimidate
CID 143077903
4-prop-2-enoxypent-3-en-2-one
CID 71367685
N'-(C,N-dimethylcarbonimidoyl)-2-methyl-N-methylidenepropanimidamide
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N'-methyl-N-propan-2-ylideneethanimidamide
CID 158478143
N'-(C,N-dimethylcarbonimidoyl)-2-methylprop-2-enimidamide
CID 130436154
N-[methoxy(prop-2-enoxy)methylidene]sulfamoyl fluoride
CID 154981836
prop-2-enyl (Z)-4-(methylamino)-2-methyliminopent-3-enoate
CID 137444605
O-prop-2-enyl 2-methylprop-2-enethioate
CID 59050365
3-prop-2-enoxybut-3-en-2-one
CID 71774350
ethane;N'-methyl-N-propan-2-ylideneethanimidamide
CID 142000403

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N'-(C,N-dimethylcarbonimidoyl)-N-methylidenecarbamimidate?
The IUPAC name of prop-2-enyl N'-(C,N-dimethylcarbonimidoyl)-N-methylidenecarbamimidate (CID 166894165) is prop-2-enyl N'-(C,N-dimethylcarbonimidoyl)-N-methylidenecarbamimidate.
What is the SMILES notation for prop-2-enyl N'-(C,N-dimethylcarbonimidoyl)-N-methylidenecarbamimidate?
The canonical SMILES for prop-2-enyl N'-(C,N-dimethylcarbonimidoyl)-N-methylidenecarbamimidate is C=CCO/C(N=C)=N\C(C)=N\C.
What is the InChIKey of prop-2-enyl N'-(C,N-dimethylcarbonimidoyl)-N-methylidenecarbamimidate?
The InChIKey is KRMZJQVHRRGZAR-BGZVTZOUSA-N. The full InChI is InChI=1S/C8H13N3O/c1-5-6-12-8(10-4)11-7(2)9-3/h5H,1,4,6H2,2-3H3/b9-7+,11-8-.
What are the key properties of prop-2-enyl N'-(C,N-dimethylcarbonimidoyl)-N-methylidenecarbamimidate?
prop-2-enyl N'-(C,N-dimethylcarbonimidoyl)-N-methylidenecarbamimidate has a molecular weight of 167.21 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N'-(C,N-dimethylcarbonimidoyl)-N-methylidenecarbamimidate is sourced from PubChem (CID 166894165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).