N-undec-10-enylformamide

C12H23NO — CID 12039861

IUPACN-undec-10-enylformamide
SMILESC=CCCCCCCCCCNC=O
InChIInChI=1S/C12H23NO/c1-2-3-4-5-6-7-8-9-10-11-13-12-14/h2,12H,1,3-11H2,(H,13,14)
InChIKeyNJFFOXKOCBGTDP-UHFFFAOYSA-N
MW197.32 g/mol
LogP3.04
Rot. Bonds11

About N-undec-10-enylformamide

N-undec-10-enylformamide (PubChem CID 12039861) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-undec-10-enylformamide.

Molecular Properties

Compound NameN-undec-10-enylformamide
PubChem CID12039861
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-undec-10-enylformamide
SMILESC=CCCCCCCCCCNC=O
InChIInChI=1S/C12H23NO/c1-2-3-4-5-6-7-8-9-10-11-13-12-14/h2,12H,1,3-11H2,(H,13,14)
InChIKeyNJFFOXKOCBGTDP-UHFFFAOYSA-N
XLogP3.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 53.04
H-Bond Donors ≤ 51
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-undec-10-enylformamide?
The IUPAC name of N-undec-10-enylformamide (CID 12039861) is N-undec-10-enylformamide.
What is the SMILES notation for N-undec-10-enylformamide?
The canonical SMILES for N-undec-10-enylformamide is C=CCCCCCCCCCNC=O.
What is the InChIKey of N-undec-10-enylformamide?
The InChIKey is NJFFOXKOCBGTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-3-4-5-6-7-8-9-10-11-13-12-14/h2,12H,1,3-11H2,(H,13,14).
What are the key properties of N-undec-10-enylformamide?
N-undec-10-enylformamide has a molecular weight of 197.32 g/mol, XLogP of 3.04, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-undec-10-enylformamide is sourced from PubChem (CID 12039861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).