N-methyloct-4-en-7-ynamide

C9H13NO — CID 175936352

IUPACN-methyloct-4-en-7-ynamide
SMILESC#CCC=CCCC(=O)NC
InChIInChI=1S/C9H13NO/c1-3-4-5-6-7-8-9(11)10-2/h1,5-6H,4,7-8H2,2H3,(H,10,11)
InChIKeyPHHAAMAIIUHJQQ-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.09
Rot. Bonds4

About N-methyloct-4-en-7-ynamide

N-methyloct-4-en-7-ynamide (PubChem CID 175936352) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is N-methyloct-4-en-7-ynamide.

Molecular Properties

Compound NameN-methyloct-4-en-7-ynamide
PubChem CID175936352
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC NameN-methyloct-4-en-7-ynamide
SMILESC#CCC=CCCC(=O)NC
InChIInChI=1S/C9H13NO/c1-3-4-5-6-7-8-9(11)10-2/h1,5-6H,4,7-8H2,2H3,(H,10,11)
InChIKeyPHHAAMAIIUHJQQ-UHFFFAOYSA-N
XLogP1.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methyl (Z)-oct-4-en-7-ynoate
CID 162411780
ethane;(E)-N-methylhex-4-enamide
CID 178010594
(Z)-N-methyldec-4-enamide
CID 151338477
N-methyloct-7-ynamide
CID 175792048
methanamine;N-methylpent-4-ynamide
CID 160899629
(E)-10-(methylamino)-10-oxodec-4-enoic acid
CID 101108631
N-methyl-4-(prop-2-ynylamino)butanamide
CID 63892463
N,N'-dimethylheptanediamide
CID 15166696
N,N'-bis(prop-2-ynyl)octadec-9-enediamide
CID 90949780
N,N'-bis(prop-2-ynyl)icos-10-enediamide;ethane
CID 143956023
N-methyl-18-oxooctadecanamide
CID 145081820
methanamine;N-methyl-3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanamide
CID 159160383

Frequently Asked Questions

What is the IUPAC name of N-methyloct-4-en-7-ynamide?
The IUPAC name of N-methyloct-4-en-7-ynamide (CID 175936352) is N-methyloct-4-en-7-ynamide.
What is the SMILES notation for N-methyloct-4-en-7-ynamide?
The canonical SMILES for N-methyloct-4-en-7-ynamide is C#CCC=CCCC(=O)NC.
What is the InChIKey of N-methyloct-4-en-7-ynamide?
The InChIKey is PHHAAMAIIUHJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-4-5-6-7-8-9(11)10-2/h1,5-6H,4,7-8H2,2H3,(H,10,11).
What are the key properties of N-methyloct-4-en-7-ynamide?
N-methyloct-4-en-7-ynamide has a molecular weight of 151.21 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyloct-4-en-7-ynamide is sourced from PubChem (CID 175936352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).