N-(6-methylhept-5-en-2-yl)formamide

C9H17NO — CID 3614685

IUPACN-(6-methylhept-5-en-2-yl)formamide
SMILESCC(C)=CCCC(C)NC=O
InChIInChI=1S/C9H17NO/c1-8(2)5-4-6-9(3)10-7-11/h5,7,9H,4,6H2,1-3H3,(H,10,11)
InChIKeyTUPAKKVAUOIZNZ-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.87
Rot. Bonds5

About N-(6-methylhept-5-en-2-yl)formamide

N-(6-methylhept-5-en-2-yl)formamide (PubChem CID 3614685) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-(6-methylhept-5-en-2-yl)formamide.

Molecular Properties

Compound NameN-(6-methylhept-5-en-2-yl)formamide
PubChem CID3614685
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-(6-methylhept-5-en-2-yl)formamide
SMILESCC(C)=CCCC(C)NC=O
InChIInChI=1S/C9H17NO/c1-8(2)5-4-6-9(3)10-7-11/h5,7,9H,4,6H2,1-3H3,(H,10,11)
InChIKeyTUPAKKVAUOIZNZ-UHFFFAOYSA-N
XLogP1.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-methylhept-5-en-2-yl)formamide?
The IUPAC name of N-(6-methylhept-5-en-2-yl)formamide (CID 3614685) is N-(6-methylhept-5-en-2-yl)formamide.
What is the SMILES notation for N-(6-methylhept-5-en-2-yl)formamide?
The canonical SMILES for N-(6-methylhept-5-en-2-yl)formamide is CC(C)=CCCC(C)NC=O.
What is the InChIKey of N-(6-methylhept-5-en-2-yl)formamide?
The InChIKey is TUPAKKVAUOIZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(2)5-4-6-9(3)10-7-11/h5,7,9H,4,6H2,1-3H3,(H,10,11).
What are the key properties of N-(6-methylhept-5-en-2-yl)formamide?
N-(6-methylhept-5-en-2-yl)formamide has a molecular weight of 155.24 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylhept-5-en-2-yl)formamide is sourced from PubChem (CID 3614685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).