4-aminopent-3-en-2-yl 2-methylprop-2-enoate

C9H15NO2 — CID 173363943

IUPAC4-aminopent-3-en-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)C=C(C)N
InChIInChI=1S/C9H15NO2/c1-6(2)9(11)12-8(4)5-7(3)10/h5,8H,1,10H2,2-4H3
InChIKeyAQULEEFWCOXGTM-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.36
Rot. Bonds3

About 4-aminopent-3-en-2-yl 2-methylprop-2-enoate

4-aminopent-3-en-2-yl 2-methylprop-2-enoate (PubChem CID 173363943) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 4-aminopent-3-en-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name4-aminopent-3-en-2-yl 2-methylprop-2-enoate
PubChem CID173363943
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name4-aminopent-3-en-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)C=C(C)N
InChIInChI=1S/C9H15NO2/c1-6(2)9(11)12-8(4)5-7(3)10/h5,8H,1,10H2,2-4H3
InChIKeyAQULEEFWCOXGTM-UHFFFAOYSA-N
XLogP1.36
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

but-3-en-2-yl 2-methylprop-2-enoate;carbonic acid
CID 175587057
propan-2-yl 2-methylprop-2-enoate
CID 146421311
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
diaminomethyl 2-methylprop-2-enoate
CID 18522879
benzene;propan-2-yl 2-methylprop-2-enoate
CID 174524984
1-aminoethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 174390329
1-acetyloxyethyl 2-methylprop-2-enoate
CID 18517368
(1-hydroxy-2-methylpropyl) 2-methylprop-2-enoate
CID 54304297
[(2S,4S)-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
CID 101184166
1-aminoprop-2-enyl 2-methylprop-2-enoate;hydrochloride
CID 87215284
2,2-bis(2-methylprop-2-enoyloxy)acetic acid
CID 56621773
methyl prop-2-enoate;propan-2-yl 2-methylprop-2-enoate
CID 174883570

Frequently Asked Questions

What is the IUPAC name of 4-aminopent-3-en-2-yl 2-methylprop-2-enoate?
The IUPAC name of 4-aminopent-3-en-2-yl 2-methylprop-2-enoate (CID 173363943) is 4-aminopent-3-en-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 4-aminopent-3-en-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 4-aminopent-3-en-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)C=C(C)N.
What is the InChIKey of 4-aminopent-3-en-2-yl 2-methylprop-2-enoate?
The InChIKey is AQULEEFWCOXGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6(2)9(11)12-8(4)5-7(3)10/h5,8H,1,10H2,2-4H3.
What are the key properties of 4-aminopent-3-en-2-yl 2-methylprop-2-enoate?
4-aminopent-3-en-2-yl 2-methylprop-2-enoate has a molecular weight of 169.22 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminopent-3-en-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 173363943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).