4-amino-N-(2,2-difluoro-3-hydroxypropyl)cyclopent-2-ene-1-carboxamide

C9H14F2N2O2 — CID 106176733

IUPAC4-amino-N-(2,2-difluoro-3-hydroxypropyl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)NCC(F)(F)CO)C1
InChIInChI=1S/C9H14F2N2O2/c10-9(11,5-14)4-13-8(15)6-1-2-7(12)3-6/h1-2,6-7,14H,3-5,12H2,(H,13,15)
InChIKeyXXABDLPATLKPRO-UHFFFAOYSA-N
MW220.22 g/mol
LogP-0.37
Rot. Bonds4

About 4-amino-N-(2,2-difluoro-3-hydroxypropyl)cyclopent-2-ene-1-carboxamide

4-amino-N-(2,2-difluoro-3-hydroxypropyl)cyclopent-2-ene-1-carboxamide (PubChem CID 106176733) has the molecular formula C9H14F2N2O2 and a molecular weight of 220.22 g/mol. Its IUPAC name is 4-amino-N-(2,2-difluoro-3-hydroxypropyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,2-difluoro-3-hydroxypropyl)cyclopent-2-ene-1-carboxamide
PubChem CID106176733
Molecular FormulaC9H14F2N2O2
Molecular Weight220.22 g/mol
Exact Mass220.10
IUPAC Name4-amino-N-(2,2-difluoro-3-hydroxypropyl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)NCC(F)(F)CO)C1
InChIInChI=1S/C9H14F2N2O2/c10-9(11,5-14)4-13-8(15)6-1-2-7(12)3-6/h1-2,6-7,14H,3-5,12H2,(H,13,15)
InChIKeyXXABDLPATLKPRO-UHFFFAOYSA-N
XLogP-0.37
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-ethylcyclopent-2-ene-1-carboxamide
CID 79211546
4-amino-N-(2-aminoethyl)cyclopent-2-ene-1-carboxamide
CID 79207691
4-amino-N-pentylcyclopent-2-ene-1-carboxamide
CID 79211552
4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]cyclopent-2-ene-1-carboxamide
CID 79400762
N-(2,2-difluoro-3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 104857980
1-(4-aminocyclopent-2-en-1-yl)-3-cyclopropylpropan-1-one
CID 116584980
4-amino-N-(3-methylsulfanylpropyl)cyclopent-2-ene-1-carboxamide
CID 79207622
4-amino-N-(1,2-oxazol-5-ylmethyl)cyclopent-2-ene-1-carboxamide
CID 106417005
4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-4-methylpentanoic acid
CID 79208286
3-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-2-methoxypropanoic acid
CID 106109009
4-amino-N-(2-hydroxy-3-methoxypropyl)cyclopent-2-ene-1-carboxamide
CID 79207720
N-(2,2-difluoro-3-hydroxypropyl)cyclohexanecarboxamide
CID 104858285

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-difluoro-3-hydroxypropyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(2,2-difluoro-3-hydroxypropyl)cyclopent-2-ene-1-carboxamide (CID 106176733) is 4-amino-N-(2,2-difluoro-3-hydroxypropyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(2,2-difluoro-3-hydroxypropyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(2,2-difluoro-3-hydroxypropyl)cyclopent-2-ene-1-carboxamide is NC1C=CC(C(=O)NCC(F)(F)CO)C1.
What is the InChIKey of 4-amino-N-(2,2-difluoro-3-hydroxypropyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is XXABDLPATLKPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O2/c10-9(11,5-14)4-13-8(15)6-1-2-7(12)3-6/h1-2,6-7,14H,3-5,12H2,(H,13,15).
What are the key properties of 4-amino-N-(2,2-difluoro-3-hydroxypropyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(2,2-difluoro-3-hydroxypropyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 220.22 g/mol, XLogP of -0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-difluoro-3-hydroxypropyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 106176733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).