(3R)-3-hydroxy-N-pent-4-enoxypent-4-enamide

C10H17NO3 — CID 124707819

IUPAC(3R)-3-hydroxy-N-pent-4-enoxypent-4-enamide
SMILESC=CCCCONC(=O)C[C@@H](O)C=C
InChIInChI=1S/C10H17NO3/c1-3-5-6-7-14-11-10(13)8-9(12)4-2/h3-4,9,12H,1-2,5-8H2,(H,11,13)/t9-/m0/s1
InChIKeyIAMJUHMGZMDEFG-VIFPVBQESA-N
MW199.25 g/mol
LogP0.94
Rot. Bonds8

About (3R)-3-hydroxy-N-pent-4-enoxypent-4-enamide

(3R)-3-hydroxy-N-pent-4-enoxypent-4-enamide (PubChem CID 124707819) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (3R)-3-hydroxy-N-pent-4-enoxypent-4-enamide.

Molecular Properties

Compound Name(3R)-3-hydroxy-N-pent-4-enoxypent-4-enamide
PubChem CID124707819
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(3R)-3-hydroxy-N-pent-4-enoxypent-4-enamide
SMILESC=CCCCONC(=O)C[C@@H](O)C=C
InChIInChI=1S/C10H17NO3/c1-3-5-6-7-14-11-10(13)8-9(12)4-2/h3-4,9,12H,1-2,5-8H2,(H,11,13)/t9-/m0/s1
InChIKeyIAMJUHMGZMDEFG-VIFPVBQESA-N
XLogP0.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-but-3-enoxy-3-hydroxy-4-methylpent-4-enamide
CID 124703884
methyl (2S)-2-hydroxy-2-pent-4-enoxyacetate
CID 101037697
methyl (2R)-2-hydroxy-2-pent-4-enoxyacetate
CID 101037696
pent-4-enyl pent-4-enoate
CID 86018729
6-pent-4-enoxyhexanehydrazide
CID 79114952
pent-4-enyl 2,2-dibromoacetate
CID 527599
bis(pent-4-enyl) decanedioate
CID 91694638
2-methyl-N-undec-10-enoxyprop-2-enamide
CID 102118216
pent-4-enyl 3-chlorobutanoate
CID 527693
hex-5-enyl acetate
CID 537536
(3S)-3-hydroxypent-4-enoic acid
CID 12740485
pent-4-enyl (2R)-2,4-dimethylpent-4-enoate
CID 135013012

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-N-pent-4-enoxypent-4-enamide?
The IUPAC name of (3R)-3-hydroxy-N-pent-4-enoxypent-4-enamide (CID 124707819) is (3R)-3-hydroxy-N-pent-4-enoxypent-4-enamide.
What is the SMILES notation for (3R)-3-hydroxy-N-pent-4-enoxypent-4-enamide?
The canonical SMILES for (3R)-3-hydroxy-N-pent-4-enoxypent-4-enamide is C=CCCCONC(=O)C[C@@H](O)C=C.
What is the InChIKey of (3R)-3-hydroxy-N-pent-4-enoxypent-4-enamide?
The InChIKey is IAMJUHMGZMDEFG-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-5-6-7-14-11-10(13)8-9(12)4-2/h3-4,9,12H,1-2,5-8H2,(H,11,13)/t9-/m0/s1.
What are the key properties of (3R)-3-hydroxy-N-pent-4-enoxypent-4-enamide?
(3R)-3-hydroxy-N-pent-4-enoxypent-4-enamide has a molecular weight of 199.25 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-N-pent-4-enoxypent-4-enamide is sourced from PubChem (CID 124707819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).