N-ethyl-N-(2-hydroxyethyl)pent-4-enamide

C9H17NO2 — CID 62678717

IUPACN-ethyl-N-(2-hydroxyethyl)pent-4-enamide
SMILESC=CCCC(=O)N(CC)CCO
InChIInChI=1S/C9H17NO2/c1-3-5-6-9(12)10(4-2)7-8-11/h3,11H,1,4-8H2,2H3
InChIKeyQZMQDZAKOPYKDQ-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.79
Rot. Bonds6

About N-ethyl-N-(2-hydroxyethyl)pent-4-enamide

N-ethyl-N-(2-hydroxyethyl)pent-4-enamide (PubChem CID 62678717) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)pent-4-enamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)pent-4-enamide
PubChem CID62678717
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-ethyl-N-(2-hydroxyethyl)pent-4-enamide
SMILESC=CCCC(=O)N(CC)CCO
InChIInChI=1S/C9H17NO2/c1-3-5-6-9(12)10(4-2)7-8-11/h3,11H,1,4-8H2,2H3
InChIKeyQZMQDZAKOPYKDQ-UHFFFAOYSA-N
XLogP0.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-N-prop-2-enylpent-4-enamide
CID 115775480
N-(2-hydroxyethyl)-N-(2-methoxyethyl)pent-4-enamide
CID 115772576
N,N-bis(2-hydroxyethyl)hex-5-enamide
CID 58150290
2-[2-(dimethylamino)ethyl-pent-4-enoylamino]acetic acid
CID 103802876
3-ethoxy-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide
CID 115775879
6-amino-N-ethyl-N-(2-hydroxyethyl)hexanamide
CID 60944687
N,N-dimethylpent-4-enamide
CID 13308678
N,N-bis(2-hydroxyethyl)butanamide
CID 14455174
4-ethoxy-N-(2-hydroxyethyl)-N-prop-2-enylbutanamide
CID 115775753
ethyl(2-hydroxyethyl)carbamic acid
CID 23202017
N,N-diethylbut-3-enamide
CID 12545744
2-ethoxy-N-(2-hydroxyethyl)-N-prop-2-enylacetamide
CID 115775668

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)pent-4-enamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)pent-4-enamide (CID 62678717) is N-ethyl-N-(2-hydroxyethyl)pent-4-enamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)pent-4-enamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)pent-4-enamide is C=CCCC(=O)N(CC)CCO.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)pent-4-enamide?
The InChIKey is QZMQDZAKOPYKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-5-6-9(12)10(4-2)7-8-11/h3,11H,1,4-8H2,2H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)pent-4-enamide?
N-ethyl-N-(2-hydroxyethyl)pent-4-enamide has a molecular weight of 171.24 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)pent-4-enamide is sourced from PubChem (CID 62678717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).