4-hydroxy-N-[[(2R)-pyrrolidin-2-yl]methyl]pent-4-enamide

C10H18N2O2 — CID 177056000

IUPAC4-hydroxy-N-[[(2R)-pyrrolidin-2-yl]methyl]pent-4-enamide
SMILESC=C(O)CCC(=O)NC[C@H]1CCCN1
InChIInChI=1S/C10H18N2O2/c1-8(13)4-5-10(14)12-7-9-3-2-6-11-9/h9,11,13H,1-7H2,(H,12,14)/t9-/m1/s1
InChIKeyBYTBVCMFCZWBGM-SECBINFHSA-N
MW198.27 g/mol
LogP0.71
Rot. Bonds5

About 4-hydroxy-N-[[(2R)-pyrrolidin-2-yl]methyl]pent-4-enamide

4-hydroxy-N-[[(2R)-pyrrolidin-2-yl]methyl]pent-4-enamide (PubChem CID 177056000) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 4-hydroxy-N-[[(2R)-pyrrolidin-2-yl]methyl]pent-4-enamide.

Molecular Properties

Compound Name4-hydroxy-N-[[(2R)-pyrrolidin-2-yl]methyl]pent-4-enamide
PubChem CID177056000
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name4-hydroxy-N-[[(2R)-pyrrolidin-2-yl]methyl]pent-4-enamide
SMILESC=C(O)CCC(=O)NC[C@H]1CCCN1
InChIInChI=1S/C10H18N2O2/c1-8(13)4-5-10(14)12-7-9-3-2-6-11-9/h9,11,13H,1-7H2,(H,12,14)/t9-/m1/s1
InChIKeyBYTBVCMFCZWBGM-SECBINFHSA-N
XLogP0.71
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide
CID 71302527
N-[[(2R)-pyrrolidin-2-yl]methyl]pentanamide;hydrochloride
CID 175666343
4-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide
CID 11382839
[(2S)-piperidin-2-yl]methylcarbamic acid
CID 67090489
2-tert-butylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 62540759
4-(dipropylamino)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119511522
N-[4-oxo-4-(pyrrolidin-2-ylmethylamino)butyl]benzamide;hydrochloride
CID 119514556
2-(azocan-1-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide
CID 122562256
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119512599
3-(4-methylpentan-2-yloxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119514198
3-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119510990
N',N'-dipropyl-N-(pyrrolidin-2-ylmethyl)pentanediamide
CID 119514736

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[[(2R)-pyrrolidin-2-yl]methyl]pent-4-enamide?
The IUPAC name of 4-hydroxy-N-[[(2R)-pyrrolidin-2-yl]methyl]pent-4-enamide (CID 177056000) is 4-hydroxy-N-[[(2R)-pyrrolidin-2-yl]methyl]pent-4-enamide.
What is the SMILES notation for 4-hydroxy-N-[[(2R)-pyrrolidin-2-yl]methyl]pent-4-enamide?
The canonical SMILES for 4-hydroxy-N-[[(2R)-pyrrolidin-2-yl]methyl]pent-4-enamide is C=C(O)CCC(=O)NC[C@H]1CCCN1.
What is the InChIKey of 4-hydroxy-N-[[(2R)-pyrrolidin-2-yl]methyl]pent-4-enamide?
The InChIKey is BYTBVCMFCZWBGM-SECBINFHSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-8(13)4-5-10(14)12-7-9-3-2-6-11-9/h9,11,13H,1-7H2,(H,12,14)/t9-/m1/s1.
What are the key properties of 4-hydroxy-N-[[(2R)-pyrrolidin-2-yl]methyl]pent-4-enamide?
4-hydroxy-N-[[(2R)-pyrrolidin-2-yl]methyl]pent-4-enamide has a molecular weight of 198.27 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[[(2R)-pyrrolidin-2-yl]methyl]pent-4-enamide is sourced from PubChem (CID 177056000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).