N-[(Z)-3-methyliminohept-4-enyl]acetamide

C10H18N2O — CID 142959972

IUPACN-[(Z)-3-methyliminohept-4-enyl]acetamide
SMILESCC/C=C\C(CCNC(C)=O)=N/C
InChIInChI=1S/C10H18N2O/c1-4-5-6-10(11-3)7-8-12-9(2)13/h5-6H,4,7-8H2,1-3H3,(H,12,13)/b6-5-,11-10+
InChIKeyANJYWHKVKAANGN-GWZUCBFCSA-N
MW182.27 g/mol
LogP1.55
Rot. Bonds5

About N-[(Z)-3-methyliminohept-4-enyl]acetamide

N-[(Z)-3-methyliminohept-4-enyl]acetamide (PubChem CID 142959972) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-[(Z)-3-methyliminohept-4-enyl]acetamide.

Molecular Properties

Compound NameN-[(Z)-3-methyliminohept-4-enyl]acetamide
PubChem CID142959972
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-[(Z)-3-methyliminohept-4-enyl]acetamide
SMILESCC/C=C\C(CCNC(C)=O)=N/C
InChIInChI=1S/C10H18N2O/c1-4-5-6-10(11-3)7-8-12-9(2)13/h5-6H,4,7-8H2,1-3H3,(H,12,13)/b6-5-,11-10+
InChIKeyANJYWHKVKAANGN-GWZUCBFCSA-N
XLogP1.55
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-methyliminohept-4-enyl]acetamide?
The IUPAC name of N-[(Z)-3-methyliminohept-4-enyl]acetamide (CID 142959972) is N-[(Z)-3-methyliminohept-4-enyl]acetamide.
What is the SMILES notation for N-[(Z)-3-methyliminohept-4-enyl]acetamide?
The canonical SMILES for N-[(Z)-3-methyliminohept-4-enyl]acetamide is CC/C=C\C(CCNC(C)=O)=N/C.
What is the InChIKey of N-[(Z)-3-methyliminohept-4-enyl]acetamide?
The InChIKey is ANJYWHKVKAANGN-GWZUCBFCSA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-5-6-10(11-3)7-8-12-9(2)13/h5-6H,4,7-8H2,1-3H3,(H,12,13)/b6-5-,11-10+.
What are the key properties of N-[(Z)-3-methyliminohept-4-enyl]acetamide?
N-[(Z)-3-methyliminohept-4-enyl]acetamide has a molecular weight of 182.27 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-methyliminohept-4-enyl]acetamide is sourced from PubChem (CID 142959972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).