N-[(Z)-2-ethyliminopent-3-enyl]cyclohepta-1,3,6-triene-1-carboxamide

C15H20N2O — CID 170724336

IUPACN-[(Z)-2-ethyliminopent-3-enyl]cyclohepta-1,3,6-triene-1-carboxamide
SMILESC/C=C\C(CNC(=O)C1=CC=CCC=C1)=N/CC
InChIInChI=1S/C15H20N2O/c1-3-9-14(16-4-2)12-17-15(18)13-10-7-5-6-8-11-13/h3,5,7-11H,4,6,12H2,1-2H3,(H,17,18)/b9-3-,16-14+
InChIKeyBXTWFQDXMYYWCJ-NAUIVSQYSA-N
MW244.34 g/mol
LogP2.58
Rot. Bonds5

About N-[(Z)-2-ethyliminopent-3-enyl]cyclohepta-1,3,6-triene-1-carboxamide

N-[(Z)-2-ethyliminopent-3-enyl]cyclohepta-1,3,6-triene-1-carboxamide (PubChem CID 170724336) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[(Z)-2-ethyliminopent-3-enyl]cyclohepta-1,3,6-triene-1-carboxamide.

Molecular Properties

Compound NameN-[(Z)-2-ethyliminopent-3-enyl]cyclohepta-1,3,6-triene-1-carboxamide
PubChem CID170724336
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-[(Z)-2-ethyliminopent-3-enyl]cyclohepta-1,3,6-triene-1-carboxamide
SMILESC/C=C\C(CNC(=O)C1=CC=CCC=C1)=N/CC
InChIInChI=1S/C15H20N2O/c1-3-9-14(16-4-2)12-17-15(18)13-10-7-5-6-8-11-13/h3,5,7-11H,4,6,12H2,1-2H3,(H,17,18)/b9-3-,16-14+
InChIKeyBXTWFQDXMYYWCJ-NAUIVSQYSA-N
XLogP2.58
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohepta-1,3,6-trien-1-ylpropan-1-one
CID 123139786
cyclohepta-1,3,6-triene-1-carboxamide;ethane
CID 143923802
cyclohepta-1,3,6-triene-1-carboxamide
CID 53421645
N'-(1-cyclohepta-1,3,6-trien-1-ylprop-1-enyl)pentanimidamide
CID 91142648
4-[(Z,2E)-1-cyclohepta-1,3,6-trien-1-yl-2-ethylidenehex-3-enylidene]piperidine
CID 142235558
(2E)-1-cyclohepta-1,3,6-trien-1-yl-2-ethenylpenta-2,4-dien-1-one;ethane
CID 155599989
4-(cyclohepta-1,3,6-triene-1-carbonyl)benzaldehyde
CID 143766006
(2E)-1-cyclohepta-1,3,6-trien-1-yl-2-ethenylpenta-2,4-dien-1-one
CID 155599990
3-cyclohepta-1,3,6-trien-1-yl-2-(methylamino)propanoic acid
CID 123974730
cyclohepta-1,3,6-trien-1-yl-(3,4-dimethylphenyl)methanone
CID 142073743
cyclohepta-1,3,6-trien-1-yl-(4-methylcyclohexa-1,5-dien-1-yl)methanone;ethane
CID 144610959
ethane;(7-methylcyclohepta-1,3,6-trien-1-yl) (Z)-but-2-enoate
CID 142062038

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-ethyliminopent-3-enyl]cyclohepta-1,3,6-triene-1-carboxamide?
The IUPAC name of N-[(Z)-2-ethyliminopent-3-enyl]cyclohepta-1,3,6-triene-1-carboxamide (CID 170724336) is N-[(Z)-2-ethyliminopent-3-enyl]cyclohepta-1,3,6-triene-1-carboxamide.
What is the SMILES notation for N-[(Z)-2-ethyliminopent-3-enyl]cyclohepta-1,3,6-triene-1-carboxamide?
The canonical SMILES for N-[(Z)-2-ethyliminopent-3-enyl]cyclohepta-1,3,6-triene-1-carboxamide is C/C=C\C(CNC(=O)C1=CC=CCC=C1)=N/CC.
What is the InChIKey of N-[(Z)-2-ethyliminopent-3-enyl]cyclohepta-1,3,6-triene-1-carboxamide?
The InChIKey is BXTWFQDXMYYWCJ-NAUIVSQYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-9-14(16-4-2)12-17-15(18)13-10-7-5-6-8-11-13/h3,5,7-11H,4,6,12H2,1-2H3,(H,17,18)/b9-3-,16-14+.
What are the key properties of N-[(Z)-2-ethyliminopent-3-enyl]cyclohepta-1,3,6-triene-1-carboxamide?
N-[(Z)-2-ethyliminopent-3-enyl]cyclohepta-1,3,6-triene-1-carboxamide has a molecular weight of 244.34 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-ethyliminopent-3-enyl]cyclohepta-1,3,6-triene-1-carboxamide is sourced from PubChem (CID 170724336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).