3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]furan-2-carbohydrazide

C11H17N3O3 — CID 63578786

IUPAC3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]furan-2-carbohydrazide
SMILESNNC(=O)c1occc1CN(CCO)C1CC1
InChIInChI=1S/C11H17N3O3/c12-13-11(16)10-8(3-6-17-10)7-14(4-5-15)9-1-2-9/h3,6,9,15H,1-2,4-5,7,12H2,(H,13,16)
InChIKeyNZLNWUCKSUIPDX-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.16
Rot. Bonds6

About 3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]furan-2-carbohydrazide

3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]furan-2-carbohydrazide (PubChem CID 63578786) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]furan-2-carbohydrazide
PubChem CID63578786
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]furan-2-carbohydrazide
SMILESNNC(=O)c1occc1CN(CCO)C1CC1
InChIInChI=1S/C11H17N3O3/c12-13-11(16)10-8(3-6-17-10)7-14(4-5-15)9-1-2-9/h3,6,9,15H,1-2,4-5,7,12H2,(H,13,16)
InChIKeyNZLNWUCKSUIPDX-UHFFFAOYSA-N
XLogP-0.16
TPSA91.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.16
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

3-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]furan-2-carbohydrazide
CID 63579662
3-[(dimethylamino)methyl]furan-2-carbohydrazide
CID 63571555
3-[[methyl(piperidin-4-yl)amino]methyl]furan-2-carbohydrazide
CID 63577197
2-[4-[[cyclopropyl(2-hydroxyethyl)amino]methyl]phenyl]acetohydrazide
CID 105351935
3-[[cyclopropyl(3-methylbutyl)amino]methyl]furan-2-carboxylic acid
CID 78974109
3-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]furan-2-carbohydrazide
CID 63573141
3-[[bis(prop-2-enyl)amino]methyl]furan-2-carbohydrazide
CID 63571598
3-[[(2-amino-2-oxoethyl)-cyclopentylamino]methyl]furan-2-carboxylic acid
CID 54988944
3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-2-carbohydrazide
CID 63572264
2-[[cyclopropyl(2-methoxyethyl)amino]methyl]furan-3-carbohydrazide
CID 63585303
3-(2-cyclobutylethoxymethyl)furan-2-carbohydrazide
CID 106206548
3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-2-carbohydrazide
CID 81067916

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]furan-2-carbohydrazide?
The IUPAC name of 3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]furan-2-carbohydrazide (CID 63578786) is 3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]furan-2-carbohydrazide.
What is the SMILES notation for 3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]furan-2-carbohydrazide?
The canonical SMILES for 3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]furan-2-carbohydrazide is NNC(=O)c1occc1CN(CCO)C1CC1.
What is the InChIKey of 3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]furan-2-carbohydrazide?
The InChIKey is NZLNWUCKSUIPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c12-13-11(16)10-8(3-6-17-10)7-14(4-5-15)9-1-2-9/h3,6,9,15H,1-2,4-5,7,12H2,(H,13,16).
What are the key properties of 3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]furan-2-carbohydrazide?
3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]furan-2-carbohydrazide has a molecular weight of 239.27 g/mol, XLogP of -0.16, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]furan-2-carbohydrazide is sourced from PubChem (CID 63578786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).