N-[(E)-1H-pyrrol-2-ylmethylideneamino]hexanamide

C11H17N3O — CID 135716593

IUPACN-[(E)-1H-pyrrol-2-ylmethylideneamino]hexanamide
SMILESCCCCCC(=O)N/N=C/c1ccc[nH]1
InChIInChI=1S/C11H17N3O/c1-2-3-4-7-11(15)14-13-9-10-6-5-8-12-10/h5-6,8-9,12H,2-4,7H2,1H3,(H,14,15)/b13-9+
InChIKeyVOAWWMYXPTUKFD-UKTHLTGXSA-N
MW207.28 g/mol
LogP2.05
Rot. Bonds6

About N-[(E)-1H-pyrrol-2-ylmethylideneamino]hexanamide

N-[(E)-1H-pyrrol-2-ylmethylideneamino]hexanamide (PubChem CID 135716593) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-[(E)-1H-pyrrol-2-ylmethylideneamino]hexanamide.

Molecular Properties

Compound NameN-[(E)-1H-pyrrol-2-ylmethylideneamino]hexanamide
PubChem CID135716593
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-[(E)-1H-pyrrol-2-ylmethylideneamino]hexanamide
SMILESCCCCCC(=O)N/N=C/c1ccc[nH]1
InChIInChI=1S/C11H17N3O/c1-2-3-4-7-11(15)14-13-9-10-6-5-8-12-10/h5-6,8-9,12H,2-4,7H2,1H3,(H,14,15)/b13-9+
InChIKeyVOAWWMYXPTUKFD-UKTHLTGXSA-N
XLogP2.05
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.05
H-Bond Donors ≤ 52
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1H-pyrrol-2-ylmethylideneamino)decanamide
CID 4196902
N-(1H-pyrrol-2-ylmethylideneamino)pentanamide
CID 4048770
N-[(E)-1H-pyrrol-2-ylmethylideneamino]-N'-[(Z)-1H-pyrrol-2-ylmethylideneamino]butanediamide
CID 136826339
4-hexoxy-N-(1H-pyrrol-2-ylmethylideneamino)benzamide
CID 4930621
N-[(E)-benzylideneamino]heptanamide
CID 6083821
N-(benzylideneamino)decanamide
CID 3430585
1-(4-butoxyphenyl)-3-[(E)-1H-pyrrol-2-ylmethylideneamino]urea
CID 135770473
2-anilino-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide
CID 135641150
methyl N-[(E)-1H-pyrrol-2-ylmethylideneamino]carbamate
CID 135644237
2-(4-methoxyphenyl)-N-(1H-pyrrol-2-ylmethylideneamino)acetamide
CID 969187
N-[(2-hydroxyphenyl)methylideneamino]undecanamide
CID 5053269
N-[(2-hydroxyphenyl)methylideneamino]octanamide
CID 3393777

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1H-pyrrol-2-ylmethylideneamino]hexanamide?
The IUPAC name of N-[(E)-1H-pyrrol-2-ylmethylideneamino]hexanamide (CID 135716593) is N-[(E)-1H-pyrrol-2-ylmethylideneamino]hexanamide.
What is the SMILES notation for N-[(E)-1H-pyrrol-2-ylmethylideneamino]hexanamide?
The canonical SMILES for N-[(E)-1H-pyrrol-2-ylmethylideneamino]hexanamide is CCCCCC(=O)N/N=C/c1ccc[nH]1.
What is the InChIKey of N-[(E)-1H-pyrrol-2-ylmethylideneamino]hexanamide?
The InChIKey is VOAWWMYXPTUKFD-UKTHLTGXSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-3-4-7-11(15)14-13-9-10-6-5-8-12-10/h5-6,8-9,12H,2-4,7H2,1H3,(H,14,15)/b13-9+.
What are the key properties of N-[(E)-1H-pyrrol-2-ylmethylideneamino]hexanamide?
N-[(E)-1H-pyrrol-2-ylmethylideneamino]hexanamide has a molecular weight of 207.28 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1H-pyrrol-2-ylmethylideneamino]hexanamide is sourced from PubChem (CID 135716593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).