N-(5-methylidenehept-6-enyl)-2-methyliminopropanamide

C12H20N2O — CID 123769876

IUPACN-(5-methylidenehept-6-enyl)-2-methyliminopropanamide
SMILESC=CC(=C)CCCCNC(=O)/C(C)=N/C
InChIInChI=1S/C12H20N2O/c1-5-10(2)8-6-7-9-14-12(15)11(3)13-4/h5H,1-2,6-9H2,3-4H3,(H,14,15)/b13-11+
InChIKeyBEDYHCULZSMZKH-ACCUITESSA-N
MW208.30 g/mol
LogP2.11
Rot. Bonds7

About N-(5-methylidenehept-6-enyl)-2-methyliminopropanamide

N-(5-methylidenehept-6-enyl)-2-methyliminopropanamide (PubChem CID 123769876) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N-(5-methylidenehept-6-enyl)-2-methyliminopropanamide.

Molecular Properties

Compound NameN-(5-methylidenehept-6-enyl)-2-methyliminopropanamide
PubChem CID123769876
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN-(5-methylidenehept-6-enyl)-2-methyliminopropanamide
SMILESC=CC(=C)CCCCNC(=O)/C(C)=N/C
InChIInChI=1S/C12H20N2O/c1-5-10(2)8-6-7-9-14-12(15)11(3)13-4/h5H,1-2,6-9H2,3-4H3,(H,14,15)/b13-11+
InChIKeyBEDYHCULZSMZKH-ACCUITESSA-N
XLogP2.11
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-prop-1-enyl-5,6,7,8,9,10-hexahydro-1H-1,4-diazecin-2-one
CID 91425388
N-(2,4-dimethyl-2,3-dihydroazet-3-yl)-4-methylidenehex-5-enamide
CID 123594289
3-(3-cyclohexa-1,5-dien-1-ylpropyl)-N-(3-methylbut-3-enyl)-2H-pyrrole-5-carboxamide
CID 129214860
5-But-3-enyl-3-methyl-1,3,6,7-tetrahydro-1,4-diazepin-2-one
CID 130024085

Frequently Asked Questions

What is the IUPAC name of N-(5-methylidenehept-6-enyl)-2-methyliminopropanamide?
The IUPAC name of N-(5-methylidenehept-6-enyl)-2-methyliminopropanamide (CID 123769876) is N-(5-methylidenehept-6-enyl)-2-methyliminopropanamide.
What is the SMILES notation for N-(5-methylidenehept-6-enyl)-2-methyliminopropanamide?
The canonical SMILES for N-(5-methylidenehept-6-enyl)-2-methyliminopropanamide is C=CC(=C)CCCCNC(=O)/C(C)=N/C.
What is the InChIKey of N-(5-methylidenehept-6-enyl)-2-methyliminopropanamide?
The InChIKey is BEDYHCULZSMZKH-ACCUITESSA-N. The full InChI is InChI=1S/C12H20N2O/c1-5-10(2)8-6-7-9-14-12(15)11(3)13-4/h5H,1-2,6-9H2,3-4H3,(H,14,15)/b13-11+.
What are the key properties of N-(5-methylidenehept-6-enyl)-2-methyliminopropanamide?
N-(5-methylidenehept-6-enyl)-2-methyliminopropanamide has a molecular weight of 208.30 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylidenehept-6-enyl)-2-methyliminopropanamide is sourced from PubChem (CID 123769876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).