(R)-[(2R,3R)-3-amino-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]-phenylmethanol

C18H18N2O — CID 10588668

IUPAC(R)-[(2R,3R)-3-amino-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]-phenylmethanol
SMILESN[C@H]1c2cc3ccccc3n2C[C@H]1[C@@H](O)c1ccccc1
InChIInChI=1S/C18H18N2O/c19-17-14(18(21)12-6-2-1-3-7-12)11-20-15-9-5-4-8-13(15)10-16(17)20/h1-10,14,17-18,21H,11,19H2/t14-,17-,18+/m1/s1
InChIKeyGGRTZMGKGCRVPQ-OLMNPRSZSA-N
MW278.36 g/mol
LogP3.00
Rot. Bonds2

About (R)-[(2R,3R)-3-amino-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]-phenylmethanol

(R)-[(2R,3R)-3-amino-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]-phenylmethanol (PubChem CID 10588668) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is (R)-[(2R,3R)-3-amino-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]-phenylmethanol.

Molecular Properties

Compound Name(R)-[(2R,3R)-3-amino-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]-phenylmethanol
PubChem CID10588668
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name(R)-[(2R,3R)-3-amino-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]-phenylmethanol
SMILESN[C@H]1c2cc3ccccc3n2C[C@H]1[C@@H](O)c1ccccc1
InChIInChI=1S/C18H18N2O/c19-17-14(18(21)12-6-2-1-3-7-12)11-20-15-9-5-4-8-13(15)10-16(17)20/h1-10,14,17-18,21H,11,19H2/t14-,17-,18+/m1/s1
InChIKeyGGRTZMGKGCRVPQ-OLMNPRSZSA-N
XLogP3.00
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (R)-[(2R,3R)-3-amino-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]-phenylmethanol with MolForge

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Related Compounds

cis-(1S,2R)-2-[hydroxy(phenyl)methyl]cyclopropane-1-carboxylic acid
CID 165353427
cis-(1R,2S)-2-[hydroxy(phenyl)methyl]cyclopropane-1-carboxylic acid
CID 130979849
2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-ylmethanol
CID 105442634
[(2R)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]methanol
CID 10583749
(S)-phenyl-[(1S,2S)-2-prop-1-en-2-ylcyclopropyl]methanol
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(R)-phenyl-[(1S,2R)-2-prop-1-en-2-ylcyclopropyl]methanol
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9-amino-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one
CID 10821901
[(1R,2R)-2-[amino(phenyl)methyl]cyclobutyl]-indol-1-ylmethanone
CID 46928296
(1S,2R)-2-[[4,6-bis[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]-1,2-diphenylethanol
CID 69423563
2-[hydroxy(phenyl)methyl]-4-methylcyclopentane-1-carboxylic acid
CID 114392534
9-methyl-6,7,8,9-tetrahydropyrido[1,2-a]indole
CID 15287247
(R)-phenyl-[(2R)-1-[(1R)-1-phenylethyl]aziridin-2-yl]methanol
CID 134930781

Frequently Asked Questions

What is the IUPAC name of (R)-[(2R,3R)-3-amino-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]-phenylmethanol?
The IUPAC name of (R)-[(2R,3R)-3-amino-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]-phenylmethanol (CID 10588668) is (R)-[(2R,3R)-3-amino-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]-phenylmethanol.
What is the SMILES notation for (R)-[(2R,3R)-3-amino-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]-phenylmethanol?
The canonical SMILES for (R)-[(2R,3R)-3-amino-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]-phenylmethanol is N[C@H]1c2cc3ccccc3n2C[C@H]1[C@@H](O)c1ccccc1.
What is the InChIKey of (R)-[(2R,3R)-3-amino-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]-phenylmethanol?
The InChIKey is GGRTZMGKGCRVPQ-OLMNPRSZSA-N. The full InChI is InChI=1S/C18H18N2O/c19-17-14(18(21)12-6-2-1-3-7-12)11-20-15-9-5-4-8-13(15)10-16(17)20/h1-10,14,17-18,21H,11,19H2/t14-,17-,18+/m1/s1.
What are the key properties of (R)-[(2R,3R)-3-amino-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]-phenylmethanol?
(R)-[(2R,3R)-3-amino-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]-phenylmethanol has a molecular weight of 278.36 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(2R,3R)-3-amino-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]-phenylmethanol is sourced from PubChem (CID 10588668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).