chromium;2-(3-methylbenzene-2-id-1-yl)pyrrolidin-3-ol

C11H14CrNO- — CID 177146390

IUPACchromium;2-(3-methylbenzene-2-id-1-yl)pyrrolidin-3-ol
SMILESCc1[c-]c(C2NCCC2O)ccc1.[Cr]
InChIInChI=1S/C11H14NO.Cr/c1-8-3-2-4-9(7-8)11-10(13)5-6-12-11;/h2-4,10-13H,5-6H2,1H3;/q-1;
InChIKeyWUXFUVOECPXTMG-UHFFFAOYSA-N
MW228.23 g/mol
LogP1.19
Rot. Bonds1

About chromium;2-(3-methylbenzene-2-id-1-yl)pyrrolidin-3-ol

chromium;2-(3-methylbenzene-2-id-1-yl)pyrrolidin-3-ol (PubChem CID 177146390) has the molecular formula C11H14CrNO- and a molecular weight of 228.23 g/mol. Its IUPAC name is chromium;2-(3-methylbenzene-2-id-1-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Namechromium;2-(3-methylbenzene-2-id-1-yl)pyrrolidin-3-ol
PubChem CID177146390
Molecular FormulaC11H14CrNO-
Molecular Weight228.23 g/mol
Exact Mass228.05
IUPAC Namechromium;2-(3-methylbenzene-2-id-1-yl)pyrrolidin-3-ol
SMILESCc1[c-]c(C2NCCC2O)ccc1.[Cr]
InChIInChI=1S/C11H14NO.Cr/c1-8-3-2-4-9(7-8)11-10(13)5-6-12-11;/h2-4,10-13H,5-6H2,1H3;/q-1;
InChIKeyWUXFUVOECPXTMG-UHFFFAOYSA-N
XLogP1.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z,4Z)-7-amino-4-ethylidene-8-fluoro-6-methoxyoct-2-enyl]pyrrolidin-3-ol
CID 129313105
1-(ethylamino)-2,3,4,5-tetrahydro-1H-inden-2-ol
CID 123990062
2,3,3a,7a-tetrahydro-1H-indol-3-ol
CID 124017198
(R)-1,2-dihydropyridin-5-yl-[(2S)-pyrrolidin-2-yl]methanol;ethane
CID 141855115
(Z,2S,3S,5Z)-2-amino-5-ethylidene-1-pyrrolidin-1-ylnon-6-en-3-ol
CID 143163545
3-ethenyl-2-(methylamino)-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-ol
CID 143164390
ethane;4-methyl-2-(methylamino)-3-[(Z)-prop-1-enyl]cyclopent-3-en-1-ol
CID 143342945
(1R,3Z)-4,6-dimethyl-2-methylidene-1-[(2S)-pyrrolidin-2-yl]hepta-3,5-dien-1-ol
CID 155010717
(2S,3S)-2,5-dimethyl-2,3,4,7-tetrahydro-1H-azepin-3-ol
CID 169699627
(2R,3S)-2,5-dimethyl-2,3,4,7-tetrahydro-1H-azepin-3-ol
CID 169699630
(2S,3R)-2,5-dimethyl-2,3,4,7-tetrahydro-1H-azepin-3-ol
CID 169699632
2,5-dimethyl-2,3,4,7-tetrahydro-1H-azepin-3-ol
CID 169699633

Frequently Asked Questions

What is the IUPAC name of chromium;2-(3-methylbenzene-2-id-1-yl)pyrrolidin-3-ol?
The IUPAC name of chromium;2-(3-methylbenzene-2-id-1-yl)pyrrolidin-3-ol (CID 177146390) is chromium;2-(3-methylbenzene-2-id-1-yl)pyrrolidin-3-ol.
What is the SMILES notation for chromium;2-(3-methylbenzene-2-id-1-yl)pyrrolidin-3-ol?
The canonical SMILES for chromium;2-(3-methylbenzene-2-id-1-yl)pyrrolidin-3-ol is Cc1[c-]c(C2NCCC2O)ccc1.[Cr].
What is the InChIKey of chromium;2-(3-methylbenzene-2-id-1-yl)pyrrolidin-3-ol?
The InChIKey is WUXFUVOECPXTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14NO.Cr/c1-8-3-2-4-9(7-8)11-10(13)5-6-12-11;/h2-4,10-13H,5-6H2,1H3;/q-1;.
What are the key properties of chromium;2-(3-methylbenzene-2-id-1-yl)pyrrolidin-3-ol?
chromium;2-(3-methylbenzene-2-id-1-yl)pyrrolidin-3-ol has a molecular weight of 228.23 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;2-(3-methylbenzene-2-id-1-yl)pyrrolidin-3-ol is sourced from PubChem (CID 177146390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).