N-(1-methylcyclohex-3-en-1-yl)formamide

C8H13NO — CID 131149938

IUPACN-(1-methylcyclohex-3-en-1-yl)formamide
SMILESCC1(NC=O)CC=CCC1
InChIInChI=1S/C8H13NO/c1-8(9-7-10)5-3-2-4-6-8/h2-3,7H,4-6H2,1H3,(H,9,10)
InChIKeyGCSDTEBPCXEWDB-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.23
Rot. Bonds2

About N-(1-methylcyclohex-3-en-1-yl)formamide

N-(1-methylcyclohex-3-en-1-yl)formamide (PubChem CID 131149938) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is N-(1-methylcyclohex-3-en-1-yl)formamide.

Molecular Properties

Compound NameN-(1-methylcyclohex-3-en-1-yl)formamide
PubChem CID131149938
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC NameN-(1-methylcyclohex-3-en-1-yl)formamide
SMILESCC1(NC=O)CC=CCC1
InChIInChI=1S/C8H13NO/c1-8(9-7-10)5-3-2-4-6-8/h2-3,7H,4-6H2,1H3,(H,9,10)
InChIKeyGCSDTEBPCXEWDB-UHFFFAOYSA-N
XLogP1.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.23
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-(1-methylcyclohex-3-en-1-yl)formamide?
The IUPAC name of N-(1-methylcyclohex-3-en-1-yl)formamide (CID 131149938) is N-(1-methylcyclohex-3-en-1-yl)formamide.
What is the SMILES notation for N-(1-methylcyclohex-3-en-1-yl)formamide?
The canonical SMILES for N-(1-methylcyclohex-3-en-1-yl)formamide is CC1(NC=O)CC=CCC1.
What is the InChIKey of N-(1-methylcyclohex-3-en-1-yl)formamide?
The InChIKey is GCSDTEBPCXEWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-8(9-7-10)5-3-2-4-6-8/h2-3,7H,4-6H2,1H3,(H,9,10).
What are the key properties of N-(1-methylcyclohex-3-en-1-yl)formamide?
N-(1-methylcyclohex-3-en-1-yl)formamide has a molecular weight of 139.20 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclohex-3-en-1-yl)formamide is sourced from PubChem (CID 131149938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).