[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-phenylmethanone

C15H19NO2 — CID 110196270

IUPAC[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(OCC2CC2)C1
InChIInChI=1S/C15H19NO2/c17-15(13-4-2-1-3-5-13)16-9-8-14(10-16)18-11-12-6-7-12/h1-5,12,14H,6-11H2
InChIKeyDPVUFHRVVRRIFH-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.33
Rot. Bonds4

About [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-phenylmethanone

[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-phenylmethanone (PubChem CID 110196270) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-phenylmethanone
PubChem CID110196270
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(OCC2CC2)C1
InChIInChI=1S/C15H19NO2/c17-15(13-4-2-1-3-5-13)16-9-8-14(10-16)18-11-12-6-7-12/h1-5,12,14H,6-11H2
InChIKeyDPVUFHRVVRRIFH-UHFFFAOYSA-N
XLogP2.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-phenylmethanone?
The IUPAC name of [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-phenylmethanone (CID 110196270) is [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-phenylmethanone.
What is the SMILES notation for [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-phenylmethanone?
The canonical SMILES for [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCC(OCC2CC2)C1.
What is the InChIKey of [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-phenylmethanone?
The InChIKey is DPVUFHRVVRRIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-15(13-4-2-1-3-5-13)16-9-8-14(10-16)18-11-12-6-7-12/h1-5,12,14H,6-11H2.
What are the key properties of [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-phenylmethanone?
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-phenylmethanone has a molecular weight of 245.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-phenylmethanone is sourced from PubChem (CID 110196270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).