methane;molecular hydrogen;N-(1-phenylethenyl)acetamide

C11H17NO — CID 159750182

IUPACmethane;molecular hydrogen;N-(1-phenylethenyl)acetamide
SMILESC.C=C(NC(C)=O)c1ccccc1.[H][H]
InChIInChI=1S/C10H11NO.CH4.H2/c1-8(11-9(2)12)10-6-4-3-5-7-10;;/h3-7H,1H2,2H3,(H,11,12);1H4;1H
InChIKeyNDNZEOUCWKXSCS-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.68
Rot. Bonds2

About methane;molecular hydrogen;N-(1-phenylethenyl)acetamide

methane;molecular hydrogen;N-(1-phenylethenyl)acetamide (PubChem CID 159750182) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is methane;molecular hydrogen;N-(1-phenylethenyl)acetamide.

Molecular Properties

Compound Namemethane;molecular hydrogen;N-(1-phenylethenyl)acetamide
PubChem CID159750182
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Namemethane;molecular hydrogen;N-(1-phenylethenyl)acetamide
SMILESC.C=C(NC(C)=O)c1ccccc1.[H][H]
InChIInChI=1S/C10H11NO.CH4.H2/c1-8(11-9(2)12)10-6-4-3-5-7-10;;/h3-7H,1H2,2H3,(H,11,12);1H4;1H
InChIKeyNDNZEOUCWKXSCS-UHFFFAOYSA-N
XLogP2.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of methane;molecular hydrogen;N-(1-phenylethenyl)acetamide?
The IUPAC name of methane;molecular hydrogen;N-(1-phenylethenyl)acetamide (CID 159750182) is methane;molecular hydrogen;N-(1-phenylethenyl)acetamide.
What is the SMILES notation for methane;molecular hydrogen;N-(1-phenylethenyl)acetamide?
The canonical SMILES for methane;molecular hydrogen;N-(1-phenylethenyl)acetamide is C.C=C(NC(C)=O)c1ccccc1.[H][H].
What is the InChIKey of methane;molecular hydrogen;N-(1-phenylethenyl)acetamide?
The InChIKey is NDNZEOUCWKXSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO.CH4.H2/c1-8(11-9(2)12)10-6-4-3-5-7-10;;/h3-7H,1H2,2H3,(H,11,12);1H4;1H.
What are the key properties of methane;molecular hydrogen;N-(1-phenylethenyl)acetamide?
methane;molecular hydrogen;N-(1-phenylethenyl)acetamide has a molecular weight of 179.26 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;molecular hydrogen;N-(1-phenylethenyl)acetamide is sourced from PubChem (CID 159750182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).