N',N'-bis(2-hydroxypropyl)prop-2-enehydrazide

C9H18N2O3 — CID 87130081

IUPACN',N'-bis(2-hydroxypropyl)prop-2-enehydrazide
SMILESC=CC(=O)NN(CC(C)O)CC(C)O
InChIInChI=1S/C9H18N2O3/c1-4-9(14)10-11(5-7(2)12)6-8(3)13/h4,7-8,12-13H,1,5-6H2,2-3H3,(H,10,14)
InChIKeyBEJDMQZPCDXYCS-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.73
Rot. Bonds6

About N',N'-bis(2-hydroxypropyl)prop-2-enehydrazide

N',N'-bis(2-hydroxypropyl)prop-2-enehydrazide (PubChem CID 87130081) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is N',N'-bis(2-hydroxypropyl)prop-2-enehydrazide.

Molecular Properties

Compound NameN',N'-bis(2-hydroxypropyl)prop-2-enehydrazide
PubChem CID87130081
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC NameN',N'-bis(2-hydroxypropyl)prop-2-enehydrazide
SMILESC=CC(=O)NN(CC(C)O)CC(C)O
InChIInChI=1S/C9H18N2O3/c1-4-9(14)10-11(5-7(2)12)6-8(3)13/h4,7-8,12-13H,1,5-6H2,2-3H3,(H,10,14)
InChIKeyBEJDMQZPCDXYCS-UHFFFAOYSA-N
XLogP-0.73
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N',N'-bis(2-hydroxypropyl)prop-2-enehydrazide?
The IUPAC name of N',N'-bis(2-hydroxypropyl)prop-2-enehydrazide (CID 87130081) is N',N'-bis(2-hydroxypropyl)prop-2-enehydrazide.
What is the SMILES notation for N',N'-bis(2-hydroxypropyl)prop-2-enehydrazide?
The canonical SMILES for N',N'-bis(2-hydroxypropyl)prop-2-enehydrazide is C=CC(=O)NN(CC(C)O)CC(C)O.
What is the InChIKey of N',N'-bis(2-hydroxypropyl)prop-2-enehydrazide?
The InChIKey is BEJDMQZPCDXYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-4-9(14)10-11(5-7(2)12)6-8(3)13/h4,7-8,12-13H,1,5-6H2,2-3H3,(H,10,14).
What are the key properties of N',N'-bis(2-hydroxypropyl)prop-2-enehydrazide?
N',N'-bis(2-hydroxypropyl)prop-2-enehydrazide has a molecular weight of 202.25 g/mol, XLogP of -0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(2-hydroxypropyl)prop-2-enehydrazide is sourced from PubChem (CID 87130081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).