N-prop-1-en-2-yloctanamide

C11H21NO — CID 163625758

IUPACN-prop-1-en-2-yloctanamide
SMILESC=C(C)NC(=O)CCCCCCC
InChIInChI=1S/C11H21NO/c1-4-5-6-7-8-9-11(13)12-10(2)3/h2,4-9H2,1,3H3,(H,12,13)
InChIKeyHRVZZYMAGNVPOB-UHFFFAOYSA-N
MW183.29 g/mol
LogP3.00
Rot. Bonds7

About N-prop-1-en-2-yloctanamide

N-prop-1-en-2-yloctanamide (PubChem CID 163625758) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-prop-1-en-2-yloctanamide.

Molecular Properties

Compound NameN-prop-1-en-2-yloctanamide
PubChem CID163625758
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-prop-1-en-2-yloctanamide
SMILESC=C(C)NC(=O)CCCCCCC
InChIInChI=1S/C11H21NO/c1-4-5-6-7-8-9-11(13)12-10(2)3/h2,4-9H2,1,3H3,(H,12,13)
InChIKeyHRVZZYMAGNVPOB-UHFFFAOYSA-N
XLogP3.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-1-en-2-yloctanamide?
The IUPAC name of N-prop-1-en-2-yloctanamide (CID 163625758) is N-prop-1-en-2-yloctanamide.
What is the SMILES notation for N-prop-1-en-2-yloctanamide?
The canonical SMILES for N-prop-1-en-2-yloctanamide is C=C(C)NC(=O)CCCCCCC.
What is the InChIKey of N-prop-1-en-2-yloctanamide?
The InChIKey is HRVZZYMAGNVPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-5-6-7-8-9-11(13)12-10(2)3/h2,4-9H2,1,3H3,(H,12,13).
What are the key properties of N-prop-1-en-2-yloctanamide?
N-prop-1-en-2-yloctanamide has a molecular weight of 183.29 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-1-en-2-yloctanamide is sourced from PubChem (CID 163625758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).