1-cyclopropyl-3-[(3R)-pyrrolidin-3-yl]propan-2-one

C10H17NO — CID 58326281

IUPAC1-cyclopropyl-3-[(3R)-pyrrolidin-3-yl]propan-2-one
SMILESO=C(CC1CC1)C[C@H]1CCNC1
InChIInChI=1S/C10H17NO/c12-10(5-8-1-2-8)6-9-3-4-11-7-9/h8-9,11H,1-7H2/t9-/m1/s1
InChIKeyWPHONGMQEATFKJ-SECBINFHSA-N
MW167.25 g/mol
LogP1.36
Rot. Bonds4

About 1-cyclopropyl-3-[(3R)-pyrrolidin-3-yl]propan-2-one

1-cyclopropyl-3-[(3R)-pyrrolidin-3-yl]propan-2-one (PubChem CID 58326281) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(3R)-pyrrolidin-3-yl]propan-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[(3R)-pyrrolidin-3-yl]propan-2-one
PubChem CID58326281
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-cyclopropyl-3-[(3R)-pyrrolidin-3-yl]propan-2-one
SMILESO=C(CC1CC1)C[C@H]1CCNC1
InChIInChI=1S/C10H17NO/c12-10(5-8-1-2-8)6-9-3-4-11-7-9/h8-9,11H,1-7H2/t9-/m1/s1
InChIKeyWPHONGMQEATFKJ-SECBINFHSA-N
XLogP1.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(3R)-pyrrolidin-3-yl]propan-2-one?
The IUPAC name of 1-cyclopropyl-3-[(3R)-pyrrolidin-3-yl]propan-2-one (CID 58326281) is 1-cyclopropyl-3-[(3R)-pyrrolidin-3-yl]propan-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[(3R)-pyrrolidin-3-yl]propan-2-one?
The canonical SMILES for 1-cyclopropyl-3-[(3R)-pyrrolidin-3-yl]propan-2-one is O=C(CC1CC1)C[C@H]1CCNC1.
What is the InChIKey of 1-cyclopropyl-3-[(3R)-pyrrolidin-3-yl]propan-2-one?
The InChIKey is WPHONGMQEATFKJ-SECBINFHSA-N. The full InChI is InChI=1S/C10H17NO/c12-10(5-8-1-2-8)6-9-3-4-11-7-9/h8-9,11H,1-7H2/t9-/m1/s1.
What are the key properties of 1-cyclopropyl-3-[(3R)-pyrrolidin-3-yl]propan-2-one?
1-cyclopropyl-3-[(3R)-pyrrolidin-3-yl]propan-2-one has a molecular weight of 167.25 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(3R)-pyrrolidin-3-yl]propan-2-one is sourced from PubChem (CID 58326281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).