N-heptylideneformamide

C8H15NO — CID 57089153

IUPACN-heptylideneformamide
SMILESCCCCCC/C=N/C=O
InChIInChI=1S/C8H15NO/c1-2-3-4-5-6-7-9-8-10/h7-8H,2-6H2,1H3/b9-7+
InChIKeyYHRGNSVGIHRMQR-VQHVLOKHSA-N
MW141.21 g/mol
LogP2.18
Rot. Bonds6

About N-heptylideneformamide

N-heptylideneformamide (PubChem CID 57089153) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-heptylideneformamide.

Molecular Properties

Compound NameN-heptylideneformamide
PubChem CID57089153
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-heptylideneformamide
SMILESCCCCCC/C=N/C=O
InChIInChI=1S/C8H15NO/c1-2-3-4-5-6-7-9-8-10/h7-8H,2-6H2,1H3/b9-7+
InChIKeyYHRGNSVGIHRMQR-VQHVLOKHSA-N
XLogP2.18
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-heptylideneformamide?
The IUPAC name of N-heptylideneformamide (CID 57089153) is N-heptylideneformamide.
What is the SMILES notation for N-heptylideneformamide?
The canonical SMILES for N-heptylideneformamide is CCCCCC/C=N/C=O.
What is the InChIKey of N-heptylideneformamide?
The InChIKey is YHRGNSVGIHRMQR-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-3-4-5-6-7-9-8-10/h7-8H,2-6H2,1H3/b9-7+.
What are the key properties of N-heptylideneformamide?
N-heptylideneformamide has a molecular weight of 141.21 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptylideneformamide is sourced from PubChem (CID 57089153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).