2-(1,4-diazepan-1-ylmethyl)furan-3-carbohydrazide

C11H18N4O2 — CID 63577489

IUPAC2-(1,4-diazepan-1-ylmethyl)furan-3-carbohydrazide
SMILESNNC(=O)c1ccoc1CN1CCCNCC1
InChIInChI=1S/C11H18N4O2/c12-14-11(16)9-2-7-17-10(9)8-15-5-1-3-13-4-6-15/h2,7,13H,1,3-6,8,12H2,(H,14,16)
InChIKeyKQYUCUCUOXAQRH-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.32
Rot. Bonds3

About 2-(1,4-diazepan-1-ylmethyl)furan-3-carbohydrazide

2-(1,4-diazepan-1-ylmethyl)furan-3-carbohydrazide (PubChem CID 63577489) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-ylmethyl)furan-3-carbohydrazide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-ylmethyl)furan-3-carbohydrazide
PubChem CID63577489
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-(1,4-diazepan-1-ylmethyl)furan-3-carbohydrazide
SMILESNNC(=O)c1ccoc1CN1CCCNCC1
InChIInChI=1S/C11H18N4O2/c12-14-11(16)9-2-7-17-10(9)8-15-5-1-3-13-4-6-15/h2,7,13H,1,3-6,8,12H2,(H,14,16)
InChIKeyKQYUCUCUOXAQRH-UHFFFAOYSA-N
XLogP-0.32
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.32
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

2-(1,4-diazepan-1-ylmethyl)furan-3-carboxylic acid
CID 61397796
2-[(5-oxo-1,4-diazepan-1-yl)methyl]furan-3-carbohydrazide
CID 63583335
2-[(4-ethylpiperazin-1-yl)methyl]furan-3-carbohydrazide
CID 63569726
methyl 2-(piperazin-1-ylmethyl)furan-3-carboxylate
CID 43162349
2-[(3-aminopiperidin-1-yl)methyl]furan-3-carbohydrazide
CID 63583479
2-[[4-(dimethylamino)piperidin-1-yl]methyl]furan-3-carbohydrazide
CID 63572172
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-3-carbohydrazide
CID 66371047
5-(1,4-diazepan-1-ylmethyl)-2-methylfuran-3-carbohydrazide
CID 63577670
2-[(4-ethoxypiperidin-1-yl)methyl]furan-3-carbohydrazide
CID 63572841
2-[(2-oxoazepan-1-yl)methyl]furan-3-carbohydrazide
CID 63579888
methyl 2-(azepan-1-ylmethyl)furan-3-carboxylate
CID 51075342
2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide
CID 63584457

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-ylmethyl)furan-3-carbohydrazide?
The IUPAC name of 2-(1,4-diazepan-1-ylmethyl)furan-3-carbohydrazide (CID 63577489) is 2-(1,4-diazepan-1-ylmethyl)furan-3-carbohydrazide.
What is the SMILES notation for 2-(1,4-diazepan-1-ylmethyl)furan-3-carbohydrazide?
The canonical SMILES for 2-(1,4-diazepan-1-ylmethyl)furan-3-carbohydrazide is NNC(=O)c1ccoc1CN1CCCNCC1.
What is the InChIKey of 2-(1,4-diazepan-1-ylmethyl)furan-3-carbohydrazide?
The InChIKey is KQYUCUCUOXAQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c12-14-11(16)9-2-7-17-10(9)8-15-5-1-3-13-4-6-15/h2,7,13H,1,3-6,8,12H2,(H,14,16).
What are the key properties of 2-(1,4-diazepan-1-ylmethyl)furan-3-carbohydrazide?
2-(1,4-diazepan-1-ylmethyl)furan-3-carbohydrazide has a molecular weight of 238.29 g/mol, XLogP of -0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-ylmethyl)furan-3-carbohydrazide is sourced from PubChem (CID 63577489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).