N-(pentylideneamino)acetamide

C7H14N2O — CID 59751852

IUPACN-(pentylideneamino)acetamide
SMILESCCCCC=NNC(C)=O
InChIInChI=1S/C7H14N2O/c1-3-4-5-6-8-9-7(2)10/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyWXCXLQUGHHVRQS-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.30
Rot. Bonds4

About N-(pentylideneamino)acetamide

N-(pentylideneamino)acetamide (PubChem CID 59751852) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is N-(pentylideneamino)acetamide.

Molecular Properties

Compound NameN-(pentylideneamino)acetamide
PubChem CID59751852
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC NameN-(pentylideneamino)acetamide
SMILESCCCCC=NNC(C)=O
InChIInChI=1S/C7H14N2O/c1-3-4-5-6-8-9-7(2)10/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyWXCXLQUGHHVRQS-UHFFFAOYSA-N
XLogP1.30
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.30
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-Methyl-2-pyrazolin-5-one
CID 98935
4,5-dihydro-1H-pyrazol-5-one
CID 316289
N-[(E)-2,2-dimethylpropylideneamino]acetamide
CID 11389440
N-(3-methylbutylideneamino)acetamide
CID 57351099
N-(ethylideneamino)acetamide
CID 57976624
Acetic acid isobutylidene-hydrazide
CID 519289
N-(hexylideneamino)acetamide
CID 72747477
N-[(Z)-hexylideneamino]acetamide
CID 101620605
N-[(E)-butylideneamino]-2,2-difluoroacetamide
CID 133681380
2,2,2-trifluoro-N-[(E)-pentylideneamino]acetamide
CID 133682304
N-(butylideneamino)acetamide
CID 4121710
N-(pentan-3-ylideneamino)acetamide
CID 4668337

Frequently Asked Questions

What is the IUPAC name of N-(pentylideneamino)acetamide?
The IUPAC name of N-(pentylideneamino)acetamide (CID 59751852) is N-(pentylideneamino)acetamide.
What is the SMILES notation for N-(pentylideneamino)acetamide?
The canonical SMILES for N-(pentylideneamino)acetamide is CCCCC=NNC(C)=O.
What is the InChIKey of N-(pentylideneamino)acetamide?
The InChIKey is WXCXLQUGHHVRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-3-4-5-6-8-9-7(2)10/h6H,3-5H2,1-2H3,(H,9,10).
What are the key properties of N-(pentylideneamino)acetamide?
N-(pentylideneamino)acetamide has a molecular weight of 142.20 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pentylideneamino)acetamide is sourced from PubChem (CID 59751852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).