methane;N-methyl-N-(3-phenylbut-3-enyl)formamide

C13H19NO — CID 143368877

IUPACmethane;N-methyl-N-(3-phenylbut-3-enyl)formamide
SMILESC.C=C(CCN(C)C=O)c1ccccc1
InChIInChI=1S/C12H15NO.CH4/c1-11(8-9-13(2)10-14)12-6-4-3-5-7-12;/h3-7,10H,1,8-9H2,2H3;1H4
InChIKeyNORQOXDJBASNRR-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.81
Rot. Bonds5

About methane;N-methyl-N-(3-phenylbut-3-enyl)formamide

methane;N-methyl-N-(3-phenylbut-3-enyl)formamide (PubChem CID 143368877) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is methane;N-methyl-N-(3-phenylbut-3-enyl)formamide.

Molecular Properties

Compound Namemethane;N-methyl-N-(3-phenylbut-3-enyl)formamide
PubChem CID143368877
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Namemethane;N-methyl-N-(3-phenylbut-3-enyl)formamide
SMILESC.C=C(CCN(C)C=O)c1ccccc1
InChIInChI=1S/C12H15NO.CH4/c1-11(8-9-13(2)10-14)12-6-4-3-5-7-12;/h3-7,10H,1,8-9H2,2H3;1H4
InChIKeyNORQOXDJBASNRR-UHFFFAOYSA-N
XLogP2.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(3-oxo-3-phenylpropyl)formamide
CID 15311171
N-methyl-N-(3-phenylbut-3-enyl)aniline
CID 138977624
2-hydroxy-4-phenylpent-4-enal
CID 134964349
pent-1-en-2-ylbenzene
CID 521761
N,N-dimethyl-3-(2-phenylprop-2-enylamino)propanamide
CID 113288141
N-[(E)-2,3-diphenylprop-2-enyl]-N-methylformamide
CID 101473048
hex-1-en-2-ylbenzene;propan-2-one
CID 142095367
5-methylhept-1-en-2-ylbenzene
CID 90870775
(1-ethyl-5-phenylhexa-1,5-dienyl)benzene
CID 57250345
N',N'-dimethyl-N-(2-phenylprop-2-enyl)butane-1,4-diamine
CID 113288145
2-(dimethylamino)-1-phenylprop-2-en-1-one
CID 23037706
CID 101454794
CID 101454794

Frequently Asked Questions

What is the IUPAC name of methane;N-methyl-N-(3-phenylbut-3-enyl)formamide?
The IUPAC name of methane;N-methyl-N-(3-phenylbut-3-enyl)formamide (CID 143368877) is methane;N-methyl-N-(3-phenylbut-3-enyl)formamide.
What is the SMILES notation for methane;N-methyl-N-(3-phenylbut-3-enyl)formamide?
The canonical SMILES for methane;N-methyl-N-(3-phenylbut-3-enyl)formamide is C.C=C(CCN(C)C=O)c1ccccc1.
What is the InChIKey of methane;N-methyl-N-(3-phenylbut-3-enyl)formamide?
The InChIKey is NORQOXDJBASNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.CH4/c1-11(8-9-13(2)10-14)12-6-4-3-5-7-12;/h3-7,10H,1,8-9H2,2H3;1H4.
What are the key properties of methane;N-methyl-N-(3-phenylbut-3-enyl)formamide?
methane;N-methyl-N-(3-phenylbut-3-enyl)formamide has a molecular weight of 205.30 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-methyl-N-(3-phenylbut-3-enyl)formamide is sourced from PubChem (CID 143368877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).