N-ethyl-N-[(Z)-1-methoxybut-2-enyl]formamide

C8H15NO2 — CID 144517305

IUPACN-ethyl-N-[(Z)-1-methoxybut-2-enyl]formamide
SMILESC/C=C\C(OC)N(C=O)CC
InChIInChI=1S/C8H15NO2/c1-4-6-8(11-3)9(5-2)7-10/h4,6-8H,5H2,1-3H3/b6-4-
InChIKeyPBTWLTCKADLJOQ-XQRVVYSFSA-N
MW157.21 g/mol
LogP1.01
Rot. Bonds5

About N-ethyl-N-[(Z)-1-methoxybut-2-enyl]formamide

N-ethyl-N-[(Z)-1-methoxybut-2-enyl]formamide (PubChem CID 144517305) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-ethyl-N-[(Z)-1-methoxybut-2-enyl]formamide.

Molecular Properties

Compound NameN-ethyl-N-[(Z)-1-methoxybut-2-enyl]formamide
PubChem CID144517305
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-ethyl-N-[(Z)-1-methoxybut-2-enyl]formamide
SMILESC/C=C\C(OC)N(C=O)CC
InChIInChI=1S/C8H15NO2/c1-4-6-8(11-3)9(5-2)7-10/h4,6-8H,5H2,1-3H3/b6-4-
InChIKeyPBTWLTCKADLJOQ-XQRVVYSFSA-N
XLogP1.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-but-3-en-2-yl-N-ethylformamide
CID 19012660
N-(1,2-dihydroxyethyl)-N-ethylformamide
CID 23116134
2-(3,5-dimethoxyphenyl)-2-[ethyl(formyl)amino]acetic acid
CID 63689435
2-[ethyl(formyl)amino]-2-(4-methoxyphenyl)acetic acid
CID 55233202
2-[ethyl(formyl)amino]-2-(3-hydroxy-4-methoxyphenyl)acetic acid
CID 63687210
methyl 2-ethylpent-3-enoate
CID 154241001
2-[ethyl(formyl)amino]hexanoic acid
CID 63687944
S-(2-methoxypropyl) methanethioate
CID 88911488
2-methoxypent-3-enoic acid
CID 131268395
(E)-but-2-enal;(E)-1,1-diethoxybut-2-ene
CID 86760888
N-ethyl-N-[(1R)-2-methyl-1-(2-methylphenyl)butyl]formamide
CID 89171234
2-[ethyl(formyl)amino]-4-methylsulfanylbutanoic acid
CID 63688882

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(Z)-1-methoxybut-2-enyl]formamide?
The IUPAC name of N-ethyl-N-[(Z)-1-methoxybut-2-enyl]formamide (CID 144517305) is N-ethyl-N-[(Z)-1-methoxybut-2-enyl]formamide.
What is the SMILES notation for N-ethyl-N-[(Z)-1-methoxybut-2-enyl]formamide?
The canonical SMILES for N-ethyl-N-[(Z)-1-methoxybut-2-enyl]formamide is C/C=C\C(OC)N(C=O)CC.
What is the InChIKey of N-ethyl-N-[(Z)-1-methoxybut-2-enyl]formamide?
The InChIKey is PBTWLTCKADLJOQ-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-6-8(11-3)9(5-2)7-10/h4,6-8H,5H2,1-3H3/b6-4-.
What are the key properties of N-ethyl-N-[(Z)-1-methoxybut-2-enyl]formamide?
N-ethyl-N-[(Z)-1-methoxybut-2-enyl]formamide has a molecular weight of 157.21 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(Z)-1-methoxybut-2-enyl]formamide is sourced from PubChem (CID 144517305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).