(E)-3-[4-[1-(cyclobutylmethyl)pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide

C18H24N2O2 — CID 87290698

IUPAC(E)-3-[4-[1-(cyclobutylmethyl)pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(C2CCCN2CC2CCC2)cc1)NO
InChIInChI=1S/C18H24N2O2/c21-18(19-22)11-8-14-6-9-16(10-7-14)17-5-2-12-20(17)13-15-3-1-4-15/h6-11,15,17,22H,1-5,12-13H2,(H,19,21)/b11-8+
InChIKeyUAMMFGKRJCCWRU-DHZHZOJOSA-N
MW300.40 g/mol
LogP3.14
Rot. Bonds5

About (E)-3-[4-[1-(cyclobutylmethyl)pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide

(E)-3-[4-[1-(cyclobutylmethyl)pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 87290698) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is (E)-3-[4-[1-(cyclobutylmethyl)pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[1-(cyclobutylmethyl)pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide
PubChem CID87290698
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name(E)-3-[4-[1-(cyclobutylmethyl)pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(C2CCCN2CC2CCC2)cc1)NO
InChIInChI=1S/C18H24N2O2/c21-18(19-22)11-8-14-6-9-16(10-7-14)17-5-2-12-20(17)13-15-3-1-4-15/h6-11,15,17,22H,1-5,12-13H2,(H,19,21)/b11-8+
InChIKeyUAMMFGKRJCCWRU-DHZHZOJOSA-N
XLogP3.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[1-(cyclobutylmethyl)pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[4-[1-(cyclobutylmethyl)pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide (CID 87290698) is (E)-3-[4-[1-(cyclobutylmethyl)pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[4-[1-(cyclobutylmethyl)pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[4-[1-(cyclobutylmethyl)pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1ccc(C2CCCN2CC2CCC2)cc1)NO.
What is the InChIKey of (E)-3-[4-[1-(cyclobutylmethyl)pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is UAMMFGKRJCCWRU-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H24N2O2/c21-18(19-22)11-8-14-6-9-16(10-7-14)17-5-2-12-20(17)13-15-3-1-4-15/h6-11,15,17,22H,1-5,12-13H2,(H,19,21)/b11-8+.
What are the key properties of (E)-3-[4-[1-(cyclobutylmethyl)pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[4-[1-(cyclobutylmethyl)pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 300.40 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[1-(cyclobutylmethyl)pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 87290698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).