N-(2-bromoprop-2-enyl)hept-6-ynamide

C10H14BrNO — CID 103908288

IUPACN-(2-bromoprop-2-enyl)hept-6-ynamide
SMILESC#CCCCCC(=O)NCC(=C)Br
InChIInChI=1S/C10H14BrNO/c1-3-4-5-6-7-10(13)12-8-9(2)11/h1H,2,4-8H2,(H,12,13)
InChIKeyBDFSNQRSVOTZCT-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.20
Rot. Bonds6

About N-(2-bromoprop-2-enyl)hept-6-ynamide

N-(2-bromoprop-2-enyl)hept-6-ynamide (PubChem CID 103908288) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)hept-6-ynamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)hept-6-ynamide
PubChem CID103908288
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC NameN-(2-bromoprop-2-enyl)hept-6-ynamide
SMILESC#CCCCCC(=O)NCC(=C)Br
InChIInChI=1S/C10H14BrNO/c1-3-4-5-6-7-10(13)12-8-9(2)11/h1H,2,4-8H2,(H,12,13)
InChIKeyBDFSNQRSVOTZCT-UHFFFAOYSA-N
XLogP2.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)hept-6-ynamide?
The IUPAC name of N-(2-bromoprop-2-enyl)hept-6-ynamide (CID 103908288) is N-(2-bromoprop-2-enyl)hept-6-ynamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)hept-6-ynamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)hept-6-ynamide is C#CCCCCC(=O)NCC(=C)Br.
What is the InChIKey of N-(2-bromoprop-2-enyl)hept-6-ynamide?
The InChIKey is BDFSNQRSVOTZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-3-4-5-6-7-10(13)12-8-9(2)11/h1H,2,4-8H2,(H,12,13).
What are the key properties of N-(2-bromoprop-2-enyl)hept-6-ynamide?
N-(2-bromoprop-2-enyl)hept-6-ynamide has a molecular weight of 244.13 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)hept-6-ynamide is sourced from PubChem (CID 103908288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).