N,N-dimethylformamide;1,3-xylene

C11H17NO — CID 175545564

IUPACN,N-dimethylformamide;1,3-xylene
SMILESCN(C)C=O.Cc1cccc(C)c1
InChIInChI=1S/C8H10.C3H7NO/c1-7-4-3-5-8(2)6-7;1-4(2)3-5/h3-6H,1-2H3;3H,1-2H3
InChIKeyUQTCQWHVAFCARE-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.01
Rot. Bonds1

About N,N-dimethylformamide;1,3-xylene

N,N-dimethylformamide;1,3-xylene (PubChem CID 175545564) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N,N-dimethylformamide;1,3-xylene.

Molecular Properties

Compound NameN,N-dimethylformamide;1,3-xylene
PubChem CID175545564
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN,N-dimethylformamide;1,3-xylene
SMILESCN(C)C=O.Cc1cccc(C)c1
InChIInChI=1S/C8H10.C3H7NO/c1-7-4-3-5-8(2)6-7;1-4(2)3-5/h3-6H,1-2H3;3H,1-2H3
InChIKeyUQTCQWHVAFCARE-UHFFFAOYSA-N
XLogP2.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.01
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

uranium;1,3-xylene
CID 142096795
formic acid;1,3-xylene;hydrochloride
CID 143757587
phosphane;tris(1,3-xylene)
CID 67351774
argon;1,3-xylene
CID 161468194
ethane;1,3-xylene
CID 54570178
oxaldehydic acid;1,3-xylene
CID 175563573
carbon dioxide;1,3-xylene
CID 160806691
dioxoosmium;1,3-xylene
CID 57347095
3-methylaniline;N-methyl-N-phenylformamide
CID 174963220
ethane;methane;1,3-xylene
CID 145463381
azane;1,3-xylene;hydrochloride
CID 175000695
ethane;methanol;1,3-xylene
CID 156743127

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;1,3-xylene?
The IUPAC name of N,N-dimethylformamide;1,3-xylene (CID 175545564) is N,N-dimethylformamide;1,3-xylene.
What is the SMILES notation for N,N-dimethylformamide;1,3-xylene?
The canonical SMILES for N,N-dimethylformamide;1,3-xylene is CN(C)C=O.Cc1cccc(C)c1.
What is the InChIKey of N,N-dimethylformamide;1,3-xylene?
The InChIKey is UQTCQWHVAFCARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C3H7NO/c1-7-4-3-5-8(2)6-7;1-4(2)3-5/h3-6H,1-2H3;3H,1-2H3.
What are the key properties of N,N-dimethylformamide;1,3-xylene?
N,N-dimethylformamide;1,3-xylene has a molecular weight of 179.26 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;1,3-xylene is sourced from PubChem (CID 175545564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).