(Z)-2-[4-(aminomethyl)phenyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)prop-2-en-1-ol

C17H17N3O — CID 11346494

IUPAC(Z)-2-[4-(aminomethyl)phenyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)prop-2-en-1-ol
SMILESNCc1ccc(/C(=C/c2ccnc3[nH]ccc23)CO)cc1
InChIInChI=1S/C17H17N3O/c18-10-12-1-3-13(4-2-12)15(11-21)9-14-5-7-19-17-16(14)6-8-20-17/h1-9,21H,10-11,18H2,(H,19,20)/b15-9+
InChIKeyOLMYBXYXNWMBCK-OQLLNIDSSA-N
MW279.34 g/mol
LogP2.55
Rot. Bonds4

About (Z)-2-[4-(aminomethyl)phenyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)prop-2-en-1-ol

(Z)-2-[4-(aminomethyl)phenyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)prop-2-en-1-ol (PubChem CID 11346494) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is (Z)-2-[4-(aminomethyl)phenyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-2-[4-(aminomethyl)phenyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)prop-2-en-1-ol
PubChem CID11346494
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name(Z)-2-[4-(aminomethyl)phenyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)prop-2-en-1-ol
SMILESNCc1ccc(/C(=C/c2ccnc3[nH]ccc23)CO)cc1
InChIInChI=1S/C17H17N3O/c18-10-12-1-3-13(4-2-12)15(11-21)9-14-5-7-19-17-16(14)6-8-20-17/h1-9,21H,10-11,18H2,(H,19,20)/b15-9+
InChIKeyOLMYBXYXNWMBCK-OQLLNIDSSA-N
XLogP2.55
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[4-(aminomethyl)phenyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)prop-2-en-1-ol?
The IUPAC name of (Z)-2-[4-(aminomethyl)phenyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)prop-2-en-1-ol (CID 11346494) is (Z)-2-[4-(aminomethyl)phenyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)prop-2-en-1-ol.
What is the SMILES notation for (Z)-2-[4-(aminomethyl)phenyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)prop-2-en-1-ol?
The canonical SMILES for (Z)-2-[4-(aminomethyl)phenyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)prop-2-en-1-ol is NCc1ccc(/C(=C/c2ccnc3[nH]ccc23)CO)cc1.
What is the InChIKey of (Z)-2-[4-(aminomethyl)phenyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)prop-2-en-1-ol?
The InChIKey is OLMYBXYXNWMBCK-OQLLNIDSSA-N. The full InChI is InChI=1S/C17H17N3O/c18-10-12-1-3-13(4-2-12)15(11-21)9-14-5-7-19-17-16(14)6-8-20-17/h1-9,21H,10-11,18H2,(H,19,20)/b15-9+.
What are the key properties of (Z)-2-[4-(aminomethyl)phenyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)prop-2-en-1-ol?
(Z)-2-[4-(aminomethyl)phenyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)prop-2-en-1-ol has a molecular weight of 279.34 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[4-(aminomethyl)phenyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)prop-2-en-1-ol is sourced from PubChem (CID 11346494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).