(1,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-4-yl)methanol;ethane;vanadium

C15H30N2OV — CID 157258694

IUPAC(1,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-4-yl)methanol;ethane;vanadium
SMILESCC.CC.Cc1nc2c(n1C)CCCCC2CO.[V]
InChIInChI=1S/C11H18N2O.2C2H6.V/c1-8-12-11-9(7-14)5-3-4-6-10(11)13(8)2;2*1-2;/h9,14H,3-7H2,1-2H3;2*1-2H3;
InChIKeyDQKHMSONENSZNH-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.58
Rot. Bonds1

About (1,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-4-yl)methanol;ethane;vanadium

(1,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-4-yl)methanol;ethane;vanadium (PubChem CID 157258694) has the molecular formula C15H30N2OV and a molecular weight of 305.36 g/mol. Its IUPAC name is (1,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-4-yl)methanol;ethane;vanadium.

Molecular Properties

Compound Name(1,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-4-yl)methanol;ethane;vanadium
PubChem CID157258694
Molecular FormulaC15H30N2OV
Molecular Weight305.36 g/mol
Exact Mass305.18
IUPAC Name(1,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-4-yl)methanol;ethane;vanadium
SMILESCC.CC.Cc1nc2c(n1C)CCCCC2CO.[V]
InChIInChI=1S/C11H18N2O.2C2H6.V/c1-8-12-11-9(7-14)5-3-4-6-10(11)13(8)2;2*1-2;/h9,14H,3-7H2,1-2H3;2*1-2H3;
InChIKeyDQKHMSONENSZNH-UHFFFAOYSA-N
XLogP3.58
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-4-yl)methanol;ethane;vanadium?
The IUPAC name of (1,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-4-yl)methanol;ethane;vanadium (CID 157258694) is (1,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-4-yl)methanol;ethane;vanadium.
What is the SMILES notation for (1,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-4-yl)methanol;ethane;vanadium?
The canonical SMILES for (1,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-4-yl)methanol;ethane;vanadium is CC.CC.Cc1nc2c(n1C)CCCCC2CO.[V].
What is the InChIKey of (1,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-4-yl)methanol;ethane;vanadium?
The InChIKey is DQKHMSONENSZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O.2C2H6.V/c1-8-12-11-9(7-14)5-3-4-6-10(11)13(8)2;2*1-2;/h9,14H,3-7H2,1-2H3;2*1-2H3;.
What are the key properties of (1,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-4-yl)methanol;ethane;vanadium?
(1,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-4-yl)methanol;ethane;vanadium has a molecular weight of 305.36 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-4-yl)methanol;ethane;vanadium is sourced from PubChem (CID 157258694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).