N'-(4-hydroxybutyl)prop-2-enehydrazide

C7H14N2O2 — CID 87129975

IUPACN'-(4-hydroxybutyl)prop-2-enehydrazide
SMILESC=CC(=O)NNCCCCO
InChIInChI=1S/C7H14N2O2/c1-2-7(11)9-8-5-3-4-6-10/h2,8,10H,1,3-6H2,(H,9,11)
InChIKeyBLOHCQOSZKAWPB-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.43
Rot. Bonds6

About N'-(4-hydroxybutyl)prop-2-enehydrazide

N'-(4-hydroxybutyl)prop-2-enehydrazide (PubChem CID 87129975) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is N'-(4-hydroxybutyl)prop-2-enehydrazide.

Molecular Properties

Compound NameN'-(4-hydroxybutyl)prop-2-enehydrazide
PubChem CID87129975
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC NameN'-(4-hydroxybutyl)prop-2-enehydrazide
SMILESC=CC(=O)NNCCCCO
InChIInChI=1S/C7H14N2O2/c1-2-7(11)9-8-5-3-4-6-10/h2,8,10H,1,3-6H2,(H,9,11)
InChIKeyBLOHCQOSZKAWPB-UHFFFAOYSA-N
XLogP-0.43
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[2-(2-prop-2-enoylhydrazinyl)ethyldisulfanyl]ethyl]prop-2-enehydrazide
CID 175905331
N-(3-hydroxypropyl)prop-2-enamide
CID 87194577
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
(3-hydroxypropylamino)carbamic acid
CID 151986336
N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
N',N'-bis(6-hydroxyhexyl)prop-2-enehydrazide
CID 87129980
N'-(prop-2-enoylamino)prop-2-enehydrazide
CID 19028369
6-hydroxy-2-[(prop-2-enoylamino)methylidene]hexanoic acid
CID 87113608
(tetradec-13-enylamino)carbamic acid
CID 145289573
(hept-6-enylamino)carbamic acid
CID 90997429
N-(9-hydroxynonyl)but-3-enamide
CID 171841682
N-(5-hydroxypentyl)but-3-enamide
CID 107318491

Frequently Asked Questions

What is the IUPAC name of N'-(4-hydroxybutyl)prop-2-enehydrazide?
The IUPAC name of N'-(4-hydroxybutyl)prop-2-enehydrazide (CID 87129975) is N'-(4-hydroxybutyl)prop-2-enehydrazide.
What is the SMILES notation for N'-(4-hydroxybutyl)prop-2-enehydrazide?
The canonical SMILES for N'-(4-hydroxybutyl)prop-2-enehydrazide is C=CC(=O)NNCCCCO.
What is the InChIKey of N'-(4-hydroxybutyl)prop-2-enehydrazide?
The InChIKey is BLOHCQOSZKAWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-2-7(11)9-8-5-3-4-6-10/h2,8,10H,1,3-6H2,(H,9,11).
What are the key properties of N'-(4-hydroxybutyl)prop-2-enehydrazide?
N'-(4-hydroxybutyl)prop-2-enehydrazide has a molecular weight of 158.20 g/mol, XLogP of -0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-hydroxybutyl)prop-2-enehydrazide is sourced from PubChem (CID 87129975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).