N-[(Z)-4-methyliminopent-2-en-2-yl]-N-prop-2-enylacetamide

C11H18N2O — CID 143494106

IUPACN-[(Z)-4-methyliminopent-2-en-2-yl]-N-prop-2-enylacetamide
SMILESC=CCN(C(C)=O)/C(C)=C\C(C)=N\C
InChIInChI=1S/C11H18N2O/c1-6-7-13(11(4)14)10(3)8-9(2)12-5/h6,8H,1,7H2,2-5H3/b10-8-,12-9+
InChIKeyCGTLHPDKOSQXIC-XXBUAHSKSA-N
MW194.28 g/mol
LogP2.02
Rot. Bonds4

About N-[(Z)-4-methyliminopent-2-en-2-yl]-N-prop-2-enylacetamide

N-[(Z)-4-methyliminopent-2-en-2-yl]-N-prop-2-enylacetamide (PubChem CID 143494106) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-[(Z)-4-methyliminopent-2-en-2-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-[(Z)-4-methyliminopent-2-en-2-yl]-N-prop-2-enylacetamide
PubChem CID143494106
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-[(Z)-4-methyliminopent-2-en-2-yl]-N-prop-2-enylacetamide
SMILESC=CCN(C(C)=O)/C(C)=C\C(C)=N\C
InChIInChI=1S/C11H18N2O/c1-6-7-13(11(4)14)10(3)8-9(2)12-5/h6,8H,1,7H2,2-5H3/b10-8-,12-9+
InChIKeyCGTLHPDKOSQXIC-XXBUAHSKSA-N
XLogP2.02
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2E)-4-iminohexa-2,5-dien-2-yl]-N-methylbut-2-enamide
CID 123797337
N,N-diethyl-2,3-dihydropyridine-6-carboxamide
CID 123947366
ethane;N-methyl-N-[(2-methyl-3H-azepin-7-yl)methyl]acetamide
CID 143678060
ethane;N-methyl-N-[(7-methyl-4H-azepin-2-yl)methyl]acetamide
CID 143678107
N-methyl-N-[(Z)-4-methyliminopent-2-en-2-yl]acetamide
CID 143810991
Ethane;1,4,6-trimethyl-3-prop-2-enylpyrimidin-1-ium-2-one
CID 143979554
N-methyl-N-[(2-methyl-3H-azepin-7-yl)methyl]acetamide
CID 143678061
N-methyl-N-[(7-methyl-4H-azepin-2-yl)methyl]acetamide
CID 143678108

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-methyliminopent-2-en-2-yl]-N-prop-2-enylacetamide?
The IUPAC name of N-[(Z)-4-methyliminopent-2-en-2-yl]-N-prop-2-enylacetamide (CID 143494106) is N-[(Z)-4-methyliminopent-2-en-2-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for N-[(Z)-4-methyliminopent-2-en-2-yl]-N-prop-2-enylacetamide?
The canonical SMILES for N-[(Z)-4-methyliminopent-2-en-2-yl]-N-prop-2-enylacetamide is C=CCN(C(C)=O)/C(C)=C\C(C)=N\C.
What is the InChIKey of N-[(Z)-4-methyliminopent-2-en-2-yl]-N-prop-2-enylacetamide?
The InChIKey is CGTLHPDKOSQXIC-XXBUAHSKSA-N. The full InChI is InChI=1S/C11H18N2O/c1-6-7-13(11(4)14)10(3)8-9(2)12-5/h6,8H,1,7H2,2-5H3/b10-8-,12-9+.
What are the key properties of N-[(Z)-4-methyliminopent-2-en-2-yl]-N-prop-2-enylacetamide?
N-[(Z)-4-methyliminopent-2-en-2-yl]-N-prop-2-enylacetamide has a molecular weight of 194.28 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-methyliminopent-2-en-2-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 143494106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).