1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]pyrrolidine-2-carboxamide

C12H18N4O3 — CID 63569410

IUPAC1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]pyrrolidine-2-carboxamide
SMILESCc1oc(C(=O)NN)cc1CN1CCCC1C(N)=O
InChIInChI=1S/C12H18N4O3/c1-7-8(5-10(19-7)12(18)15-14)6-16-4-2-3-9(16)11(13)17/h5,9H,2-4,6,14H2,1H3,(H2,13,17)(H,15,18)
InChIKeyCMSCLWNAUWWULB-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.36
Rot. Bonds4

About 1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]pyrrolidine-2-carboxamide

1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 63569410) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID63569410
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]pyrrolidine-2-carboxamide
SMILESCc1oc(C(=O)NN)cc1CN1CCCC1C(N)=O
InChIInChI=1S/C12H18N4O3/c1-7-8(5-10(19-7)12(18)15-14)6-16-4-2-3-9(16)11(13)17/h5,9H,2-4,6,14H2,1H3,(H2,13,17)(H,15,18)
InChIKeyCMSCLWNAUWWULB-UHFFFAOYSA-N
XLogP-0.36
TPSA114.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]-N-methylpiperidine-2-carboxamide
CID 63585489
4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-carbohydrazide
CID 63572887
5-methyl-4-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid
CID 62274666
4-(azocan-1-ylmethyl)-5-methylfuran-2-carbohydrazide
CID 63570994
5-methyl-4-[(3-methyl-2-oxopiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 104680451
2-[1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]piperidin-4-yl]acetamide
CID 63579534
5-methyl-4-(piperazin-1-ylmethyl)furan-2-carbohydrazide
CID 63583235
4-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid
CID 55076314
4-(cyclobutyloxymethyl)-5-methylfuran-2-carbohydrazide
CID 63568934
4-(hydroxymethyl)-5-methylfuran-2-carbohydrazide
CID 63576410
1-[(4-carbamothioyl-2-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 114481717
5-methyl-4-[(2-methylpiperidin-1-yl)methyl]furan-2-carbonyl chloride
CID 82042224

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]pyrrolidine-2-carboxamide (CID 63569410) is 1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]pyrrolidine-2-carboxamide is Cc1oc(C(=O)NN)cc1CN1CCCC1C(N)=O.
What is the InChIKey of 1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is CMSCLWNAUWWULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-7-8(5-10(19-7)12(18)15-14)6-16-4-2-3-9(16)11(13)17/h5,9H,2-4,6,14H2,1H3,(H2,13,17)(H,15,18).
What are the key properties of 1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]pyrrolidine-2-carboxamide?
1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 266.30 g/mol, XLogP of -0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 63569410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).