N'-hydroxy-2-[1-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]cyclopropyl]ethanimidamide

C13H23N3O2 — CID 113399250

IUPACN'-hydroxy-2-[1-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]cyclopropyl]ethanimidamide
SMILESNC(CC1(CN2CC3CCC(O)C3C2)CC1)=NO
InChIInChI=1S/C13H23N3O2/c14-12(15-18)5-13(3-4-13)8-16-6-9-1-2-11(17)10(9)7-16/h9-11,17-18H,1-8H2,(H2,14,15)
InChIKeyCMNLYDXPPOAIAP-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.61
Rot. Bonds4

About N'-hydroxy-2-[1-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]cyclopropyl]ethanimidamide

N'-hydroxy-2-[1-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]cyclopropyl]ethanimidamide (PubChem CID 113399250) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N'-hydroxy-2-[1-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]cyclopropyl]ethanimidamide
PubChem CID113399250
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN'-hydroxy-2-[1-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]cyclopropyl]ethanimidamide
SMILESNC(CC1(CN2CC3CCC(O)C3C2)CC1)=NO
InChIInChI=1S/C13H23N3O2/c14-12(15-18)5-13(3-4-13)8-16-6-9-1-2-11(17)10(9)7-16/h9-11,17-18H,1-8H2,(H2,14,15)
InChIKeyCMNLYDXPPOAIAP-UHFFFAOYSA-N
XLogP0.61
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 N'-hydroxy-2-[1-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]cyclopropyl]ethanimidamide (CID 113399250) is N'-hydroxy-2-[1-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]cyclopropyl]ethanimidamide is NC(CC1(CN2CC3CCC(O)C3C2)CC1)=NO.
What is the InChIKey of N'-hydroxy-2-[1-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]cyclopropyl]ethanimidamide?
The InChIKey is CMNLYDXPPOAIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c14-12(15-18)5-13(3-4-13)8-16-6-9-1-2-11(17)10(9)7-16/h9-11,17-18H,1-8H2,(H2,14,15).
What are the key properties of N'-hydroxy-2-[1-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]cyclopropyl]ethanimidamide has a molecular weight of 253.35 g/mol, XLogP of 0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 113399250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).