[1-[(2R)-butan-2-yl]-5-(cyclohexylmethyl)pyrrol-2-yl]methanol

C16H27NO — CID 100792792

IUPAC[1-[(2R)-butan-2-yl]-5-(cyclohexylmethyl)pyrrol-2-yl]methanol
SMILESCC[C@@H](C)n1c(CO)ccc1CC1CCCCC1
InChIInChI=1S/C16H27NO/c1-3-13(2)17-15(9-10-16(17)12-18)11-14-7-5-4-6-8-14/h9-10,13-14,18H,3-8,11-12H2,1-2H3/t13-/m1/s1
InChIKeyOSTBUOBBPWRTPN-CYBMUJFWSA-N
MW249.40 g/mol
LogP4.07
Rot. Bonds5

About [1-[(2R)-butan-2-yl]-5-(cyclohexylmethyl)pyrrol-2-yl]methanol

[1-[(2R)-butan-2-yl]-5-(cyclohexylmethyl)pyrrol-2-yl]methanol (PubChem CID 100792792) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is [1-[(2R)-butan-2-yl]-5-(cyclohexylmethyl)pyrrol-2-yl]methanol.

Molecular Properties

Compound Name[1-[(2R)-butan-2-yl]-5-(cyclohexylmethyl)pyrrol-2-yl]methanol
PubChem CID100792792
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name[1-[(2R)-butan-2-yl]-5-(cyclohexylmethyl)pyrrol-2-yl]methanol
SMILESCC[C@@H](C)n1c(CO)ccc1CC1CCCCC1
InChIInChI=1S/C16H27NO/c1-3-13(2)17-15(9-10-16(17)12-18)11-14-7-5-4-6-8-14/h9-10,13-14,18H,3-8,11-12H2,1-2H3/t13-/m1/s1
InChIKeyOSTBUOBBPWRTPN-CYBMUJFWSA-N
XLogP4.07
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butan-2-yl-5-(cyclohexylmethyl)pyrrole-2-carboxylic acid
CID 133197534
1-[(2R)-butan-2-yl]-5-(cyclohexylmethyl)pyrrole-2-carboxylic acid
CID 100792798
1-[(2S)-butan-2-yl]-5-(cyclohexylmethyl)pyrrole-2-carbaldehyde
CID 100792790
methyl 1-[(2R)-butan-2-yl]-5-(cyclohexylmethyl)pyrrole-2-carboxylate
CID 100792801
1-[(2R)-butan-2-yl]-5-(cyclohexylmethyl)pyrrole-2-carbohydrazide
CID 100792804
methyl 5-(cyclohexylmethyl)-1-propan-2-ylpyrrole-2-carboxylate
CID 100792824
[5-(cyclohexylmethyl)-1-prop-2-enylpyrrol-2-yl]methanol
CID 100792830
5-(cyclohexylmethyl)-1-propylpyrrole-2-carbonitrile
CID 100792772
tert-butyl 2-(cyclohexylmethyl)pyrrole-1-carboxylate
CID 131744647
2-[[1-[(2S)-butan-2-yl]-2-(cyclopentylmethyl)benzimidazole-5-carbonyl]amino]-4-methylpentanoic acid
CID 118427411
3-[(3-bromocycloheptyl)methyl]-1-butan-2-ylpyrazole
CID 64778953
1-(cyclopentylmethyl)-4-propan-2-ylbenzene;hydroxysulfanylethane
CID 145234037

Frequently Asked Questions

What is the IUPAC name of [1-[(2R)-butan-2-yl]-5-(cyclohexylmethyl)pyrrol-2-yl]methanol?
The IUPAC name of [1-[(2R)-butan-2-yl]-5-(cyclohexylmethyl)pyrrol-2-yl]methanol (CID 100792792) is [1-[(2R)-butan-2-yl]-5-(cyclohexylmethyl)pyrrol-2-yl]methanol.
What is the SMILES notation for [1-[(2R)-butan-2-yl]-5-(cyclohexylmethyl)pyrrol-2-yl]methanol?
The canonical SMILES for [1-[(2R)-butan-2-yl]-5-(cyclohexylmethyl)pyrrol-2-yl]methanol is CC[C@@H](C)n1c(CO)ccc1CC1CCCCC1.
What is the InChIKey of [1-[(2R)-butan-2-yl]-5-(cyclohexylmethyl)pyrrol-2-yl]methanol?
The InChIKey is OSTBUOBBPWRTPN-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H27NO/c1-3-13(2)17-15(9-10-16(17)12-18)11-14-7-5-4-6-8-14/h9-10,13-14,18H,3-8,11-12H2,1-2H3/t13-/m1/s1.
What are the key properties of [1-[(2R)-butan-2-yl]-5-(cyclohexylmethyl)pyrrol-2-yl]methanol?
[1-[(2R)-butan-2-yl]-5-(cyclohexylmethyl)pyrrol-2-yl]methanol has a molecular weight of 249.40 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2R)-butan-2-yl]-5-(cyclohexylmethyl)pyrrol-2-yl]methanol is sourced from PubChem (CID 100792792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).