cis-(1R,2R)-2-(2-ethylbutanimidoyl)cyclopentan-1-ol

C11H21NO — CID 163509549

IUPACcis-(1R,2R)-2-(2-ethylbutanimidoyl)cyclopentan-1-ol
SMILES[H]/N=C(\C(CC)CC)[C@H]1CCC[C@H]1O
InChIInChI=1S/C11H21NO/c1-3-8(4-2)11(12)9-6-5-7-10(9)13/h8-10,12-13H,3-7H2,1-2H3/b12-11+/t9-,10+/m0/s1
InChIKeyDBNOTWFCVDJTBP-XXQWGACESA-N
MW183.29 g/mol
LogP2.60
Rot. Bonds4

About cis-(1R,2R)-2-(2-ethylbutanimidoyl)cyclopentan-1-ol

cis-(1R,2R)-2-(2-ethylbutanimidoyl)cyclopentan-1-ol (PubChem CID 163509549) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is cis-(1R,2R)-2-(2-ethylbutanimidoyl)cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,2R)-2-(2-ethylbutanimidoyl)cyclopentan-1-ol
PubChem CID163509549
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Namecis-(1R,2R)-2-(2-ethylbutanimidoyl)cyclopentan-1-ol
SMILES[H]/N=C(\C(CC)CC)[C@H]1CCC[C@H]1O
InChIInChI=1S/C11H21NO/c1-3-8(4-2)11(12)9-6-5-7-10(9)13/h8-10,12-13H,3-7H2,1-2H3/b12-11+/t9-,10+/m0/s1
InChIKeyDBNOTWFCVDJTBP-XXQWGACESA-N
XLogP2.60
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4,4-Difluoro-2-(2-fluoropropanimidoyl)cyclopentan-1-ol
CID 123707641
2-Ethanimidoyl-4,4-difluorocyclopentan-1-ol
CID 123874890
cis-(1R,2R)-4,4-difluoro-2-(2-fluoropropanimidoyl)cyclopentan-1-ol
CID 162591745
7-Imino-2-methyloctan-1-ol
CID 58165084
2-Ethyl-1-(2-iminocyclohexyl)propane-1,3-diol
CID 67812818
1-(2-Iminocyclohexyl)butan-1-ol
CID 67882696
7-Imino-5,5,9-trimethyldecan-4-ol
CID 88440115
5-Imino-8-methylnonan-2-ol
CID 88443865
4-(2,4-Diiminocyclopentyl)butan-2-ol
CID 91329811
2-(2-Ethylbutanimidoyl)cyclopentan-1-ol
CID 123477245
5-Imino-6-methylheptan-3-ol
CID 123862877
3-Imino-2-methylcyclopentan-1-ol
CID 123864091

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-(2-ethylbutanimidoyl)cyclopentan-1-ol?
The IUPAC name of cis-(1R,2R)-2-(2-ethylbutanimidoyl)cyclopentan-1-ol (CID 163509549) is cis-(1R,2R)-2-(2-ethylbutanimidoyl)cyclopentan-1-ol.
What is the SMILES notation for cis-(1R,2R)-2-(2-ethylbutanimidoyl)cyclopentan-1-ol?
The canonical SMILES for cis-(1R,2R)-2-(2-ethylbutanimidoyl)cyclopentan-1-ol is [H]/N=C(\C(CC)CC)[C@H]1CCC[C@H]1O.
What is the InChIKey of cis-(1R,2R)-2-(2-ethylbutanimidoyl)cyclopentan-1-ol?
The InChIKey is DBNOTWFCVDJTBP-XXQWGACESA-N. The full InChI is InChI=1S/C11H21NO/c1-3-8(4-2)11(12)9-6-5-7-10(9)13/h8-10,12-13H,3-7H2,1-2H3/b12-11+/t9-,10+/m0/s1.
What are the key properties of cis-(1R,2R)-2-(2-ethylbutanimidoyl)cyclopentan-1-ol?
cis-(1R,2R)-2-(2-ethylbutanimidoyl)cyclopentan-1-ol has a molecular weight of 183.29 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-(2-ethylbutanimidoyl)cyclopentan-1-ol is sourced from PubChem (CID 163509549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).