N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

C14H15N3OS — CID 135749613

IUPACN-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESC/C(=N\NC(=O)c1cc2c(s1)CCC2)c1ccc[nH]1
InChIInChI=1S/C14H15N3OS/c1-9(11-5-3-7-15-11)16-17-14(18)13-8-10-4-2-6-12(10)19-13/h3,5,7-8,15H,2,4,6H2,1H3,(H,17,18)/b16-9+
InChIKeyDWMJKCJNILPZPF-CXUHLZMHSA-N
MW273.36 g/mol
LogP2.72
Rot. Bonds3

About N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (PubChem CID 135749613) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
PubChem CID135749613
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC NameN-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESC/C(=N\NC(=O)c1cc2c(s1)CCC2)c1ccc[nH]1
InChIInChI=1S/C14H15N3OS/c1-9(11-5-3-7-15-11)16-17-14(18)13-8-10-4-2-6-12(10)19-13/h3,5,7-8,15H,2,4,6H2,1H3,(H,17,18)/b16-9+
InChIKeyDWMJKCJNILPZPF-CXUHLZMHSA-N
XLogP2.72
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 135591094
N-[1-(furan-2-yl)ethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 3910447
N-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 9462335
N-[1-(3,4-dichlorophenyl)ethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 3981641
N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 9462712
N-[(Z)-benzylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 9462390
2,4-dimethyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-1,3-thiazole-5-carboxamide
CID 162738403
N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 43185522
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate
CID 2552198
N'-acetyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 43004091
5-[(Z)-C-methyl-N-(1H-pyrrole-2-carbonylamino)carbonimidoyl]thiophene-2-carboxylate
CID 8872528
N-[(Z)-(3-methylphenyl)methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 9462599

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The IUPAC name of N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (CID 135749613) is N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The canonical SMILES for N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is C/C(=N\NC(=O)c1cc2c(s1)CCC2)c1ccc[nH]1.
What is the InChIKey of N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The InChIKey is DWMJKCJNILPZPF-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-9(11-5-3-7-15-11)16-17-14(18)13-8-10-4-2-6-12(10)19-13/h3,5,7-8,15H,2,4,6H2,1H3,(H,17,18)/b16-9+.
What are the key properties of N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide has a molecular weight of 273.36 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is sourced from PubChem (CID 135749613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).