N-[2-(2-methylprop-1-enyl)phenyl]formamide

C11H13NO — CID 89257522

IUPACN-[2-(2-methylprop-1-enyl)phenyl]formamide
SMILESCC(C)=Cc1ccccc1NC=O
InChIInChI=1S/C11H13NO/c1-9(2)7-10-5-3-4-6-11(10)12-8-13/h3-8H,1-2H3,(H,12,13)
InChIKeyZMUPGMIUISWLML-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.68
Rot. Bonds3

About N-[2-(2-methylprop-1-enyl)phenyl]formamide

N-[2-(2-methylprop-1-enyl)phenyl]formamide (PubChem CID 89257522) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is N-[2-(2-methylprop-1-enyl)phenyl]formamide.

Molecular Properties

Compound NameN-[2-(2-methylprop-1-enyl)phenyl]formamide
PubChem CID89257522
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC NameN-[2-(2-methylprop-1-enyl)phenyl]formamide
SMILESCC(C)=Cc1ccccc1NC=O
InChIInChI=1S/C11H13NO/c1-9(2)7-10-5-3-4-6-11(10)12-8-13/h3-8H,1-2H3,(H,12,13)
InChIKeyZMUPGMIUISWLML-UHFFFAOYSA-N
XLogP2.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-1-enyl)phenyl]formamide?
The IUPAC name of N-[2-(2-methylprop-1-enyl)phenyl]formamide (CID 89257522) is N-[2-(2-methylprop-1-enyl)phenyl]formamide.
What is the SMILES notation for N-[2-(2-methylprop-1-enyl)phenyl]formamide?
The canonical SMILES for N-[2-(2-methylprop-1-enyl)phenyl]formamide is CC(C)=Cc1ccccc1NC=O.
What is the InChIKey of N-[2-(2-methylprop-1-enyl)phenyl]formamide?
The InChIKey is ZMUPGMIUISWLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-9(2)7-10-5-3-4-6-11(10)12-8-13/h3-8H,1-2H3,(H,12,13).
What are the key properties of N-[2-(2-methylprop-1-enyl)phenyl]formamide?
N-[2-(2-methylprop-1-enyl)phenyl]formamide has a molecular weight of 175.23 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-1-enyl)phenyl]formamide is sourced from PubChem (CID 89257522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).