N'-(hydroxymethyl)-2,4-dimethylidenepentanediamide

C8H12N2O3 — CID 53437142

IUPACN'-(hydroxymethyl)-2,4-dimethylidenepentanediamide
SMILESC=C(CC(=C)C(=O)NCO)C(N)=O
InChIInChI=1S/C8H12N2O3/c1-5(7(9)12)3-6(2)8(13)10-4-11/h11H,1-4H2,(H2,9,12)(H,10,13)
InChIKeyQMWDUJXKNDJSLQ-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.96
Rot. Bonds5

About N'-(hydroxymethyl)-2,4-dimethylidenepentanediamide

N'-(hydroxymethyl)-2,4-dimethylidenepentanediamide (PubChem CID 53437142) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is N'-(hydroxymethyl)-2,4-dimethylidenepentanediamide.

Molecular Properties

Compound NameN'-(hydroxymethyl)-2,4-dimethylidenepentanediamide
PubChem CID53437142
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC NameN'-(hydroxymethyl)-2,4-dimethylidenepentanediamide
SMILESC=C(CC(=C)C(=O)NCO)C(N)=O
InChIInChI=1S/C8H12N2O3/c1-5(7(9)12)3-6(2)8(13)10-4-11/h11H,1-4H2,(H2,9,12)(H,10,13)
InChIKeyQMWDUJXKNDJSLQ-UHFFFAOYSA-N
XLogP-0.96
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N'-(hydroxymethyl)-2-methylidenepropanediamide
CID 19799962
4-hydroxy-N-(hydroxymethyl)-2-methylidenebutanamide
CID 91244020
4-carbamoyl-2-methylidenepent-4-enoic acid
CID 87629138
2,4-dimethylidenepentanediamide;N-[2-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 139534058
2-(aminomethyl)prop-2-enamide
CID 19089601
2-[(prop-2-enoylamino)methyl]prop-2-enamide
CID 87325841
2,4-dimethylidenepentanediamide;2-hydroxyethyl 2-methylprop-2-enoate
CID 87356884
2-(oxamoylamino)acetic acid
CID 55281663
2,9-dimethylidenedecanediamide
CID 22052797
2,13-dimethylidenetetradecanediamide
CID 87303548
N-(2-aminoethyl)-N'-(2-amino-2-oxoethyl)oxamide
CID 43315738
4-hydroxy-2-methylidenebutanamide;prop-2-enylcarbamic acid
CID 87552237

Frequently Asked Questions

What is the IUPAC name of N'-(hydroxymethyl)-2,4-dimethylidenepentanediamide?
The IUPAC name of N'-(hydroxymethyl)-2,4-dimethylidenepentanediamide (CID 53437142) is N'-(hydroxymethyl)-2,4-dimethylidenepentanediamide.
What is the SMILES notation for N'-(hydroxymethyl)-2,4-dimethylidenepentanediamide?
The canonical SMILES for N'-(hydroxymethyl)-2,4-dimethylidenepentanediamide is C=C(CC(=C)C(=O)NCO)C(N)=O.
What is the InChIKey of N'-(hydroxymethyl)-2,4-dimethylidenepentanediamide?
The InChIKey is QMWDUJXKNDJSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-5(7(9)12)3-6(2)8(13)10-4-11/h11H,1-4H2,(H2,9,12)(H,10,13).
What are the key properties of N'-(hydroxymethyl)-2,4-dimethylidenepentanediamide?
N'-(hydroxymethyl)-2,4-dimethylidenepentanediamide has a molecular weight of 184.19 g/mol, XLogP of -0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(hydroxymethyl)-2,4-dimethylidenepentanediamide is sourced from PubChem (CID 53437142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).