1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-(2-ethoxyphenyl)propan-1-one

C19H27NO3 — CID 121197452

IUPAC1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-(2-ethoxyphenyl)propan-1-one
SMILESCCOc1ccccc1CCC(=O)N1CCC(OCC2CC2)C1
InChIInChI=1S/C19H27NO3/c1-2-22-18-6-4-3-5-16(18)9-10-19(21)20-12-11-17(13-20)23-14-15-7-8-15/h3-6,15,17H,2,7-14H2,1H3
InChIKeyXPRURVPFBJSLQK-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.05
Rot. Bonds8

About 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-(2-ethoxyphenyl)propan-1-one

1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-(2-ethoxyphenyl)propan-1-one (PubChem CID 121197452) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-(2-ethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-(2-ethoxyphenyl)propan-1-one
PubChem CID121197452
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-(2-ethoxyphenyl)propan-1-one
SMILESCCOc1ccccc1CCC(=O)N1CCC(OCC2CC2)C1
InChIInChI=1S/C19H27NO3/c1-2-22-18-6-4-3-5-16(18)9-10-19(21)20-12-11-17(13-20)23-14-15-7-8-15/h3-6,15,17H,2,7-14H2,1H3
InChIKeyXPRURVPFBJSLQK-UHFFFAOYSA-N
XLogP3.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(2-ethoxyphenyl)methanone
CID 121022721
3-(2-ethoxyphenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43403578
3-(2-ethoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119490352
1-(4-acetyl-1,4-diazepan-1-yl)-3-(2-ethoxyphenyl)propan-1-one
CID 134061684
1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 119105498
3-(2-ethoxyphenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one
CID 95758962
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-ethoxyphenyl)propan-1-one
CID 134060202
3-(2-ethoxyphenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81197579
1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-(4-methylsulfanylphenyl)propan-1-one
CID 121197456
2-[(2S)-4-[3-(2-ethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 125147522
ethyl 5-[1-[3-(2-ethoxyphenyl)propanoyl]piperidin-4-yl]-1H-1,2,4-triazole-3-carboxylate
CID 100668226
3-(4-chloro-3-methylphenyl)-1-[(3R)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]propan-1-one
CID 129356427

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-(2-ethoxyphenyl)propan-1-one?
The IUPAC name of 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-(2-ethoxyphenyl)propan-1-one (CID 121197452) is 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-(2-ethoxyphenyl)propan-1-one.
What is the SMILES notation for 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-(2-ethoxyphenyl)propan-1-one?
The canonical SMILES for 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-(2-ethoxyphenyl)propan-1-one is CCOc1ccccc1CCC(=O)N1CCC(OCC2CC2)C1.
What is the InChIKey of 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-(2-ethoxyphenyl)propan-1-one?
The InChIKey is XPRURVPFBJSLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-2-22-18-6-4-3-5-16(18)9-10-19(21)20-12-11-17(13-20)23-14-15-7-8-15/h3-6,15,17H,2,7-14H2,1H3.
What are the key properties of 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-(2-ethoxyphenyl)propan-1-one?
1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-(2-ethoxyphenyl)propan-1-one has a molecular weight of 317.43 g/mol, XLogP of 3.05, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-(2-ethoxyphenyl)propan-1-one is sourced from PubChem (CID 121197452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).