N-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)formamide

C8H12N2O2 — CID 142364794

IUPACN-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)formamide
SMILESC=C1CCC(N(C)C=O)C(=O)N1
InChIInChI=1S/C8H12N2O2/c1-6-3-4-7(8(12)9-6)10(2)5-11/h5,7H,1,3-4H2,2H3,(H,9,12)
InChIKeyXFIRVTMRBFWTLM-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.13
Rot. Bonds2

About N-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)formamide

N-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)formamide (PubChem CID 142364794) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is N-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)formamide.

Molecular Properties

Compound NameN-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)formamide
PubChem CID142364794
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC NameN-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)formamide
SMILESC=C1CCC(N(C)C=O)C(=O)N1
InChIInChI=1S/C8H12N2O2/c1-6-3-4-7(8(12)9-6)10(2)5-11/h5,7H,1,3-4H2,2H3,(H,9,12)
InChIKeyXFIRVTMRBFWTLM-UHFFFAOYSA-N
XLogP-0.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(6-methylidenepiperidin-3-yl)-2-oxopropanamide
CID 20632774
(2S)-1-methyl-6-methylidenepiperidine-2-carboxamide
CID 129109059
3-(Methylamino)-6-methylidenepiperidin-2-one
CID 132135335
3-(1-Aminoethenylamino)-6-methylidenepiperidin-2-one
CID 138496405
(5-Methylidenepyrrolidin-2-yl)-piperidin-1-ylmethanone
CID 139335393
N-[4-(2-methylbutylamino)pent-4-enyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 139516962
ethane;N-(6-methylidene-2-oxopiperidin-3-yl)formamide
CID 141788912
2-[Methyl-(2-methylidene-6-oxopiperidin-3-yl)amino]acetamide
CID 158776534
3-[Hydroxyiodanuidyl(hydroxymethyl)amino]-6-methylidenepiperidin-2-one
CID 163932086
3-(Ethylamino)-6-methylidenepiperidin-2-one
CID 164923084
N-(2-methylidene-6-oxopiperidin-3-yl)formamide
CID 169892398
6-Methylidene-3-piperidin-1-ylpiperidin-2-one
CID 170009456

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)formamide?
The IUPAC name of N-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)formamide (CID 142364794) is N-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)formamide.
What is the SMILES notation for N-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)formamide?
The canonical SMILES for N-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)formamide is C=C1CCC(N(C)C=O)C(=O)N1.
What is the InChIKey of N-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)formamide?
The InChIKey is XFIRVTMRBFWTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-6-3-4-7(8(12)9-6)10(2)5-11/h5,7H,1,3-4H2,2H3,(H,9,12).
What are the key properties of N-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)formamide?
N-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)formamide has a molecular weight of 168.20 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)formamide is sourced from PubChem (CID 142364794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).