ethane;methyl (NZ)-N-[(Z)-pent-3-en-2-ylidene]carbamimidate

C11H24N2O — CID 177189918

IUPACethane;methyl (NZ)-N-[(Z)-pent-3-en-2-ylidene]carbamimidate
SMILESCC.CC.[H]/N=C(/N=C(C)\C=C/C)OC
InChIInChI=1S/C7H12N2O.2C2H6/c1-4-5-6(2)9-7(8)10-3;2*1-2/h4-5,8H,1-3H3;2*1-2H3/b5-4-,8-7-,9-6-;;
InChIKeyQBPOXFDDAZRDQU-RJXLBOQASA-N
MW200.33 g/mol
LogP3.66
Rot. Bonds1

About ethane;methyl (NZ)-N-[(Z)-pent-3-en-2-ylidene]carbamimidate

ethane;methyl (NZ)-N-[(Z)-pent-3-en-2-ylidene]carbamimidate (PubChem CID 177189918) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is ethane;methyl (NZ)-N-[(Z)-pent-3-en-2-ylidene]carbamimidate.

Molecular Properties

Compound Nameethane;methyl (NZ)-N-[(Z)-pent-3-en-2-ylidene]carbamimidate
PubChem CID177189918
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Nameethane;methyl (NZ)-N-[(Z)-pent-3-en-2-ylidene]carbamimidate
SMILESCC.CC.[H]/N=C(/N=C(C)\C=C/C)OC
InChIInChI=1S/C7H12N2O.2C2H6/c1-4-5-6(2)9-7(8)10-3;2*1-2/h4-5,8H,1-3H3;2*1-2H3/b5-4-,8-7-,9-6-;;
InChIKeyQBPOXFDDAZRDQU-RJXLBOQASA-N
XLogP3.66
TPSA45.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;methyl (NZ)-N-[(Z)-pent-3-en-2-ylidene]carbamimidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-hex-3-en-2-ylidene]ethanimidamide
CID 122691937
methyl N-but-3-en-2-ylidenecarbamimidate
CID 123463086
ethane;N-[(Z)-pent-3-en-2-ylidene]methanimidamide
CID 143028348
methyl (NZ)-N-[(Z)-pent-3-en-2-ylidene]carbamimidate
CID 177189919

Frequently Asked Questions

What is the IUPAC name of ethane;methyl (NZ)-N-[(Z)-pent-3-en-2-ylidene]carbamimidate?
The IUPAC name of ethane;methyl (NZ)-N-[(Z)-pent-3-en-2-ylidene]carbamimidate (CID 177189918) is ethane;methyl (NZ)-N-[(Z)-pent-3-en-2-ylidene]carbamimidate.
What is the SMILES notation for ethane;methyl (NZ)-N-[(Z)-pent-3-en-2-ylidene]carbamimidate?
The canonical SMILES for ethane;methyl (NZ)-N-[(Z)-pent-3-en-2-ylidene]carbamimidate is CC.CC.[H]/N=C(/N=C(C)\C=C/C)OC.
What is the InChIKey of ethane;methyl (NZ)-N-[(Z)-pent-3-en-2-ylidene]carbamimidate?
The InChIKey is QBPOXFDDAZRDQU-RJXLBOQASA-N. The full InChI is InChI=1S/C7H12N2O.2C2H6/c1-4-5-6(2)9-7(8)10-3;2*1-2/h4-5,8H,1-3H3;2*1-2H3/b5-4-,8-7-,9-6-;;.
What are the key properties of ethane;methyl (NZ)-N-[(Z)-pent-3-en-2-ylidene]carbamimidate?
ethane;methyl (NZ)-N-[(Z)-pent-3-en-2-ylidene]carbamimidate has a molecular weight of 200.33 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl (NZ)-N-[(Z)-pent-3-en-2-ylidene]carbamimidate is sourced from PubChem (CID 177189918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).