4-hydroxy-N,N-dimethyl-2-methylidenebutanamide

C7H13NO2 — CID 123175239

IUPAC4-hydroxy-N,N-dimethyl-2-methylidenebutanamide
SMILESC=C(CCO)C(=O)N(C)C
InChIInChI=1S/C7H13NO2/c1-6(4-5-9)7(10)8(2)3/h9H,1,4-5H2,2-3H3
InChIKeyMNGAFTXTCPKETP-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.01
Rot. Bonds3

About 4-hydroxy-N,N-dimethyl-2-methylidenebutanamide

4-hydroxy-N,N-dimethyl-2-methylidenebutanamide (PubChem CID 123175239) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 4-hydroxy-N,N-dimethyl-2-methylidenebutanamide.

Molecular Properties

Compound Name4-hydroxy-N,N-dimethyl-2-methylidenebutanamide
PubChem CID123175239
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name4-hydroxy-N,N-dimethyl-2-methylidenebutanamide
SMILESC=C(CCO)C(=O)N(C)C
InChIInChI=1S/C7H13NO2/c1-6(4-5-9)7(10)8(2)3/h9H,1,4-5H2,2-3H3
InChIKeyMNGAFTXTCPKETP-UHFFFAOYSA-N
XLogP0.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-4-hydroxy-N-methoxy-N-methyl-2-methylidenebutanamide
CID 155067042
4-hydroxy-N,N-dimethyl-2-methylidenepentanamide
CID 19063259
4-hydroxy-N,N-bis(hydroxymethyl)-2-methylidenebutanamide
CID 23219379
3-(Dimethylcarbamoyl)but-3-enoic acid
CID 54401310
4-hydroxy-N-methyl-2-methylidenebutanamide
CID 87328938
4-hydroxy-N,3-bis(hydroxymethyl)-N-methyl-2-methylidenebutanamide
CID 87787620
4-hydroxy-N-(hydroxymethyl)-2-methylidenebutanamide
CID 91244020
1-Ethyl-5-hydroxy-3-methylidenepyrrolidin-2-one
CID 155351097
4-hydroxy-N,N-bis(hydroxymethyl)-3-methyl-2-methylidenebutanamide
CID 10420004
N,N-dimethyl-2,3-dihydrofuran-4-carboxamide
CID 131020458

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N,N-dimethyl-2-methylidenebutanamide?
The IUPAC name of 4-hydroxy-N,N-dimethyl-2-methylidenebutanamide (CID 123175239) is 4-hydroxy-N,N-dimethyl-2-methylidenebutanamide.
What is the SMILES notation for 4-hydroxy-N,N-dimethyl-2-methylidenebutanamide?
The canonical SMILES for 4-hydroxy-N,N-dimethyl-2-methylidenebutanamide is C=C(CCO)C(=O)N(C)C.
What is the InChIKey of 4-hydroxy-N,N-dimethyl-2-methylidenebutanamide?
The InChIKey is MNGAFTXTCPKETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-6(4-5-9)7(10)8(2)3/h9H,1,4-5H2,2-3H3.
What are the key properties of 4-hydroxy-N,N-dimethyl-2-methylidenebutanamide?
4-hydroxy-N,N-dimethyl-2-methylidenebutanamide has a molecular weight of 143.19 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N,N-dimethyl-2-methylidenebutanamide is sourced from PubChem (CID 123175239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).